The molecule <smiles>C1CC(C(CC1C2=CC=CC=C2)O)C3=CC=C(C=C3)C(=O)NCCOCCN</smiles> is a member of the class of benzamides in which benzamide is substituted on nitrogen by a 2-(2-aminoethoxy)ethyl group and at the para-position by a 2-hydroxy-4-phenylcyclohexyl group. It is an ether and a member of benzamides. It derives from a benzamide.


The molecule <smiles>S(C1=CC=C(C=C1)NC(=O)C)(C2=CC=C(C=C2)N)(=O)=O</smiles> <smiles>S(C1=CC=C(C=C1)NC(=O)C)(C2=CC=C(C=C2)N)(=O)=O</smiles> is A secondary carboxamide resulting from acetylation of one of the amino groups of dapsone. Its functional parent is dapsone . It is also related to or classified as anilide  . It is also related to or classified as secondary carboxamide  .  It is also related to or classified as sulfone  . It is also related to or classified as acetamides .


The molecule <smiles>C[C@H]1CN[C@@H](COC2=C(C=C(C=C2)NS(=O)(=O)CC3=CC=CC=C3)C(=O)N(C[C@@H]1OC)C)C</smiles> <smiles>C[C@H]1CN[C@@H](COC2=C(C=C(C=C2)NS(=O)(=O)CC3=CC=CC=C3)C(=O)N(C[C@@H]1OC)C)C</smiles> is N-[(4R,7S,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-1-phenylmethanesulfonamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .


The molecule <smiles>[NH2+]1[C@@H](C2=C(CC1)C=C(C(=C2)OC)O)CC3=CC(=C(C=C3)OC)O</smiles> <smiles>[NH2+]1[C@@H](C2=C(CC1)C=C(C(=C2)OC)O)CC3=CC(=C(C=C3)OC)O</smiles> is major species at pH 7.3. It is also related to or classified as ammonium ion derivative .


The molecule <smiles>CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\\CCCCCCCC</smiles> is a 1,2-diacyl-sn-glycero-3-phosphocholine in which the phosphatidyl acyl groups at positions 1 and 2 are stearoyl and oleoyl respectively. It is a conjugate acid of a 1-stearoyl-2-oleoyl-sn-glycero-3-phosphocholine.


The molecule <smiles>C1=2[C@@H](C(=C(OC1=CC(=CC2O)O)C3=CC=C(C=C3)O)O)O</smiles> <smiles>C1=2[C@@H](C(=C(OC1=CC(=CC2O)O)C3=CC=C(C=C3)O)O)O</smiles> is A chromenol that is 2-(4-hydroxyphenyl)-4H-1-benzopyran carrying four additional hydroxy substituents at positions 3, 4, 5 and 7. It is a conjugate acid of (4S)-2,3-dehydroleucopelargonidin(1-) . It is also related to or classified as secondary allylic alcohol  .  It is also related to or classified as enol  . It is also related to or classified as polyphenol , chromenol .


The molecule <smiles>CC(O)(CCO)CC(O)=O</smiles> <smiles>CC(O)(CCO)CC(O)=O</smiles> is A dihydroxy monocarboxylic acid comprising valeric acid having two hydroxy groups at the 3- and 5-positions together with a methyl group at the 3-position. Its functional parent is valeric acid . It is a conjugate acid of 3,5-dihydroxy-3-methylpentanoate . It is also related to or classified as dihydroxy monocarboxylic acid .


The molecule <smiles>CCC(=O)NNC(=O)c1ccccc1O</smiles> <smiles>CCC(=O)NNC(=O)c1ccccc1O</smiles> is 2-hydroxy-N'-propionylbenzohydrazide. Its functional parent is benzohydrazide . It is also related to or classified as carbohydrazide  .


The molecule <smiles>CCCCCCCC/C=C\\CCCCCCCCCC(=O)N</smiles> is a primary fatty amide resulting from the formal condensation of the carboxy group of (11Z)-icos-11-enoic acid with ammonia. It has a role as a human metabolite. It derives from an (11Z)-icos-11-enoic acid.


The molecule <smiles>C1=2[C@@H](C(=C(OC1=CC(=CC2O)O)C3=CC=C(C(=C3)O)O)O)O</smiles> <smiles>C1=2[C@@H](C(=C(OC1=CC(=CC2O)O)C3=CC=C(C(=C3)O)O)O)O</smiles> is A chromenol that is 2-(3,4-dihydroxyphenyl)-4H-1-benzopyran carrying four additional hydroxy substituents at positions 3, 4, 5 and 7. It is a conjugate acid of (4S)-2,3-dehydroleucocyanidin(1-) . It is also related to or classified as secondary allylic alcohol  .  It is also related to or classified as enol  . It is also related to or classified as polyphenol , chromenol .


The molecule <smiles>C[C@H]1C(=O)N(C[C@@H]2[C@@H](CC[C@H](O2)CCOC3=C(C=CC=C3C(=O)N1C)C#N)OC)C</smiles> <smiles>C[C@H]1C(=O)N(C[C@@H]2[C@@H](CC[C@H](O2)CCOC3=C(C=CC=C3C(=O)N1C)C#N)OC)C</smiles> is LSM-13412. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .


The molecule <smiles>C[C@H]1CN([C@@H](COC2=C(C=CC(=C2)NC(=O)COC)C(=O)N(C[C@@H]1OC)C)C)CC3=CC(=CC=C3)F</smiles> <smiles>C[C@H]1CN([C@@H](COC2=C(C=CC(=C2)NC(=O)COC)C(=O)N(C[C@@H]1OC)C)C)CC3=CC(=CC=C3)F</smiles> is N-[(5R,6S,9R)-8-[(3-fluorophenyl)methyl]-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-2-methoxyacetamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .


The molecule <smiles>O=C(CCCCCCCCCCCC)CCCCCCCCC(O)=O</smiles> <smiles>O=C(CCCCCCCCCCCC)CCCCCCCCC(O)=O</smiles> is 10-oxo-docosanoic acid. It is also related to or classified as very long-chain fatty acid  .


The molecule <smiles>CCCCC/C=C\\C/C=C\\C/C=C\\C/C=C\\C/C=C\\CCCCCCC(=O)O</smiles> is a very long-chain omega-6 fatty acid that is hexacosanoic acid containing five double bonds located at positions 8, 11, 14, 17 and 20 (the 8Z,11Z,14Z,17Z,20Z-isomer). It is an omega-6 fatty acid and a hexacosapentaenoic acid. It is a conjugate acid of an (8Z,11Z,14Z,17Z,20Z)-hexacosapentaenoate.


The molecule <smiles>C1(COC(C1COC2OC(C(O)C(O)C2O)CO)C=3C=CC(=C(C3)OC)O)CC=4C=C(C(=CC4)O)OC</smiles> <smiles>C1(COC(C1COC2OC(C(O)C(O)C2O)CO)C=3C=CC(=C(C3)OC)O)CC=4C=C(C(=CC4)O)OC</smiles> is [4-(4-hydroxy-3-methoxybenzyl)-2-(4-hydroxy-3-methoxyphenyl)tetrahydro-3-furanyl]methyl hexopyranoside. It is also related to or classified as glycoside  . It is also related to or classified as lignan  .


The molecule <smiles>C1CN2C=C(N=C2OC1)[N+](=O)[O-]</smiles> is a member of the class of imidazo[2,1-b][1,3]oxazines in which the hydrogen at position 2 is substituted by a nitro group and in which the oxazine ring is fully saturated. It is a C-nitro compound, a member of imidazo[2,1-b][1,3]oxazines and a bicyclic nitroimidazole.


The molecule <smiles>O1C(C2C(C(OC2)C3=CC(OC)=C(O)C=C3)C1)C4=CC(OC)=C(OC5OC(C(O)C(O)C5O)CO)C=C4</smiles> <smiles>O1C(C2C(C(OC2)C3=CC(OC)=C(O)C=C3)C1)C4=CC(OC)=C(OC5OC(C(O)C(O)C5O)CO)C=C4</smiles> is 4-[4-(4-hydroxy-3-methoxyphenyl)tetrahydro-1H,3H-furo[3,4-c]furan-1-yl]-2-methoxyphenyl hexopyranoside. It is also related to or classified as glycoside  . It is also related to or classified as lignan  .


The molecule <smiles>[C@H]1(O[C@H](C([O-])=O)[C@H]([C@@H]([C@H]1O)O)O)OC(\C=C\C=2C=CC(=C(C2)OC)O)=O</smiles> <smiles>[C@H]1(O[C@H](C([O-])=O)[C@H]([C@@H]([C@H]1O)O)O)OC(\C=C\C=2C=CC(=C(C2)OC)O)=O</smiles> is major species at pH 7.3. It is also related to or classified as beta-D-glucoside  . It is also related to or classified as phenols  .


The molecule <smiles>CCOC(=O)C1=C(N(C2=CC(=C(C=C21)OC(=O)C)Br)C)CSC3=C(C=CC(=N3)CCC=C)C#N</smiles> <smiles>CCOC(=O)C1=C(N(C2=CC(=C(C=C21)OC(=O)C)Br)C)CSC3=C(C=CC(=N3)CCC=C)C#N</smiles> is 5-acetyloxy-6-bromo-2-[[(6-but-3-enyl-3-cyano-2-pyridinyl)thio]methyl]-1-methyl-3-indolecarboxylic acid ethyl ester. It is also related to or classified as indolyl carboxylic acid .


The molecule <smiles>C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@@H](C=C4[C@@]3(CC[C@@H]([C@@H]4O)O)C)O)C</smiles> is an oxysterol that is cholesterol carrying two additional hydroxy groups at the 4beta and 7alpha positions. It has a role as a human xenobiotic metabolite. It is an oxysterol, a 7alpha-hydroxy steroid, a triol, a 3beta-sterol, a 4-hydroxy steroid and a 3beta-hydroxy-Delta(5)-steroid.


The molecule <smiles>OC1=C(C=C(C2=C(C(C3=C(C=C(C=C3O2)O)O)=O)O[C@@H]4O[C@@H]([C@@H](O)[C@H](O)[C@H]4O)CO[C@@H]5OC[C@@H](O)[C@H](O)[C@H]5O)C=C1)O</smiles> <smiles>OC1=C(C=C(C2=C(C(C3=C(C=C(C=C3O2)O)O)=O)O[C@@H]4O[C@@H]([C@@H](O)[C@H](O)[C@H]4O)CO[C@@H]5OC[C@@H](O)[C@H](O)[C@H]5O)C=C1)O</smiles> is 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-3-yl 6-O-beta-D-xylopyranosyl-beta-D-glucopyranoside. It is also related to or classified as glycoside  . It is also related to or classified as flavonoids .


The molecule <smiles>S(C1=CC=CC=C1C=NO)(C=2C=CC=CC2)(=O)=O</smiles> <smiles>S(C1=CC=CC=C1C=NO)(C=2C=CC=CC2)(=O)=O</smiles> is 2-(benzenesulfonyl)benzaldehyde oxime. It is also related to or classified as aldoxime  . It is also related to or classified as sulfone  .


The molecule <smiles>OC(=O)CC/C=C/C/C=C/C/C=C\C/C=C/C/C=C/C/C=C/CC</smiles> <smiles>OC(=O)CC/C=C/C/C=C/C/C=C\C/C=C/C/C=C/C/C=C/CC</smiles> is (4E,7E,10Z,13E,16E,19E)-docosa-4,7,10,13,16,19-hexaenoic acid. It is also related to or classified as very long-chain fatty acid  .


The molecule <smiles>O(CC(C(CC1=CC(OC)=C(O)C(OC)=C1)CO)CC2=CC(OC)=C(O)C(OC)=C2)C3OCC(O)C(O)C3O</smiles> <smiles>O(CC(C(CC1=CC(OC)=C(O)C(OC)=C1)CO)CC2=CC(OC)=C(O)C(OC)=C2)C3OCC(O)C(O)C3O</smiles> is Ssioriside. It is also related to or classified as glycoside  . It is also related to or classified as lignan  .


The molecule <smiles>CC1C(NC(=O)N1)CCCCCC(=O)[O-]</smiles> is conjugate base of dethiobiotin; major species at pH 7.3. It has a role as a Saccharomyces cerevisiae metabolite. It is a conjugate base of a dethiobiotin.


The molecule <smiles>S(C1=CC=C(C=C1)N=O)(C2=CC=C(C=C2)N)(=O)=O</smiles> <smiles>S(C1=CC=C(C=C1)N=O)(C2=CC=C(C=C2)N)(=O)=O</smiles> is A sulfone that is a metabolite of dapsone in which one of the amino groups of dapsone has been oxidized to a nitroso group. Its functional parent is dapsone .  It is also related to or classified as sulfone  . It is also related to or classified as nitroso compound .


The molecule <smiles>C[C@@H]1CN([C@@H](COC2=C(C=CC(=C2)NC(=O)C3=CC=C(C=C3)F)C(=O)N(C[C@H]1OC)C)C)C(=O)CC4CC4</smiles> <smiles>C[C@@H]1CN([C@@H](COC2=C(C=CC(=C2)NC(=O)C3=CC=C(C=C3)F)C(=O)N(C[C@H]1OC)C)C)C(=O)CC4CC4</smiles> is N-[(5S,6R,9R)-8-(2-cyclopropyl-1-oxoethyl)-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-4-fluorobenzamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .


The molecule <smiles>Oc1ccc(cc1)\C=C1OC(=O)C(=C/1[O-])c1ccc(O)cc1</smiles> <smiles>Oc1ccc(cc1)\C=C1OC(=O)C(=C/1[O-])c1ccc(O)cc1</smiles> is an organic anion that is the conjugate base of aspulvinone E, arising from selective deprotonation of the butenolide OH group; major species at pH 7.3. It is also related to or classified as organic anion .


The molecule <smiles>CN1[C@H]2CC[C@H](O[C@@H]2COC3=C(C1=O)C=C(C=C3)NC(=O)C4=CC(=C(C=C4)F)F)CC(=O)N[C@H]5CCN(C5)CC6=CC=CC=C6</smiles> <smiles>CN1[C@H]2CC[C@H](O[C@@H]2COC3=C(C1=O)C=C(C=C3)NC(=O)C4=CC(=C(C=C4)F)F)CC(=O)N[C@H]5CCN(C5)CC6=CC=CC=C6</smiles> is N-[(2S,4aS,12aS)-5-methyl-6-oxo-2-[2-oxo-2-[[(3S)-1-(phenylmethyl)-3-pyrrolidinyl]amino]ethyl]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-3,4-difluorobenzamide. It is also related to or classified as organohalogen compound  . It is also related to or classified as carbonyl compound .


The molecule <smiles>C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3cc4c(O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)cc([O-])cc4[o+]c3-c3ccc(O)cc3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O</smiles> <smiles>C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3cc4c(O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)cc([O-])cc4[o+]c3-c3ccc(O)cc3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O</smiles> is the conjugate base of pelargonidin 3-O-rutinoside 5-O-beta-D-glucoside; major species at pH 7.3. It is also related to or classified as oxonium betaine .


The molecule <smiles>CC1=CC(=CC=C1)C(=O)[O-]</smiles> is a toluate that is the conjugate base of m-toluic acid. It has a role as a human xenobiotic metabolite. It is a conjugate base of a m-toluic acid.


The molecule <smiles>C1(OC2C(C(C(C(O2)C)O)O)O)=CC(=C3C(=C1)OC(=C(C3=O)OC4C(C(C(CO4)O)O)O)C5=CC=C(O)C=C5)O</smiles> <smiles>C1(OC2C(C(C(C(O2)C)O)O)O)=CC(=C3C(=C1)OC(=C(C3=O)OC4C(C(C(CO4)O)O)O)C5=CC=C(O)C=C5)O</smiles> is 5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-3-(pentopyranosyloxy)-4H-chromen-7-yl 6-deoxyhexopyranoside. It is also related to or classified as glycoside  . It is also related to or classified as flavonoids .


The molecule <smiles>CCN1C2=CC=CC=C2N=C1SCC3=NC4=C(C(=C(S4)C(=O)OCC)C)C(=O)N3</smiles> <smiles>CCN1C2=CC=CC=C2N=C1SCC3=NC4=C(C(=C(S4)C(=O)OCC)C)C(=O)N3</smiles> is 2-[[(1-ethyl-2-benzimidazolyl)thio]methyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester. It is also related to or classified as organic heterobicyclic compound , organonitrogen heterocyclic compound , organosulfur heterocyclic compound .


The molecule <smiles>O1C(C(O)C(O)C(O)C1OC=2C(=[O+]C=3C(C2)=C(O)C=C(O)C3)C4=CC(O)=C(O)C(O)=C4)COC(=O)/C=C/C5=CC=C(O)C=C5</smiles> <smiles>O1C(C(O)C(O)C(O)C1OC=2C(=[O+]C=3C(C2)=C(O)C=C(O)C3)C4=CC(O)=C(O)C(O)=C4)COC(=O)/C=C/C5=CC=C(O)C=C5</smiles> is Delphinidin 3-(6-p-coumaroylgalactoside). It is also related to or classified as glycoside  . It is also related to or classified as flavonoids .


The molecule <smiles>CCCCCCCCCCCCCCCCCCOCC(CO)O</smiles> is an alkylglycerol that is glycerol in which one of the primary hydroxy groups has been converted into the corresponding octadecyl ether. It is used in cosmetics as a stabilising ingredient and skin-conditioning agent.


The molecule <smiles>COC=1C=C(C=CC1O)C2=C(C(=O)C=3C(=CC(=CC3O2)O)O)OC4C(C(C(C(O4)CO)O)O)O</smiles> <smiles>COC=1C=C(C=CC1O)C2=C(C(=O)C=3C(=CC(=CC3O2)O)O)OC4C(C(C(C(O4)CO)O)O)O</smiles> is 5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxo-4H-chromen-3-yl hexopyranoside. It is also related to or classified as glycoside  . It is also related to or classified as flavonoids .


The molecule <smiles>C[C@H]1C(=O)N(C[C@@H]2[C@H](CC[C@@H](O2)CCOC3=C(C=CC=C3C(=O)N1C)C#N)OC)C</smiles> <smiles>C[C@H]1C(=O)N(C[C@@H]2[C@H](CC[C@@H](O2)CCOC3=C(C=CC=C3C(=O)N1C)C#N)OC)C</smiles> is LSM-13428. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .


The molecule <smiles>Cl.CCN(CC)CC1=CC2=C(C=C1)C=C(COC(=O)NC1=CC=C(C=C1)C(=O)NO)C=C2</smiles> <smiles>Cl.CCN(CC)CC1=CC2=C(C=C1)C=C(COC(=O)NC1=CC=C(C=C1)C(=O)NO)C=C2</smiles> is the hydrochloride salt of givinostat. It has the role of antineoplastic agent . It has the role of angiogenesis inhibitor . It has the role of EC 3.5.1.98 (histone deacetylase) inhibitor . It has the role of anti-inflammatory agent . It has the role of apoptosis inducer . It is also related to or classified as hydrochloride .


The molecule <smiles>OC(=O)CCC\C=C\CC\C=C\CCCCCCCCCCCCCC</smiles> <smiles>OC(=O)CCC\C=C\CC\C=C\CCCCCCCCCCCCCC</smiles> is 5,9-tetracosadienoic acid. It is also related to or classified as very long-chain fatty acid  .


The molecule <smiles>[C]</smiles> <smiles>[C]</smiles> is carbon atom. It has the role of macronutrient . It is also related to or classified as nonmetal atom  . It is also related to or classified as carbon group element atom .


The molecule <smiles>Cl[Rh-3](Cl)(Cl)(Cl)(Cl)Cl</smiles> is a perchlorometallate anion having six chlorines and rhodium(III) as the metal component. It is a rhodium coordination entity and a perchlorometallate anion.


The molecule <smiles>OC[C@H]1O[C@@H](OC2=CC3=C(C(=O)C[C@H](O3)C3=CC(O)=C(O)C=C3)C(O)=C2)[C@H](O)[C@@H](O)[C@@H]1O</smiles> <smiles>OC[C@H]1O[C@@H](OC2=CC3=C(C(=O)C[C@H](O3)C3=CC(O)=C(O)C=C3)C(O)=C2)[C@H](O)[C@@H](O)[C@@H]1O</smiles> is A flavanone glycoside that is eriodictyol attached to a beta-D-glucopyranosyl residue at position 7 via a glycosidic linkage. It is an Nrf2 activator and provides protection against cisplatin-induced toxicity. It has the role of radical scavenger . It has the role of plant metabolite . Its functional parent is eriodictyol . It is also related to or classified as beta-D-glucoside  . It is also related to or classified as trihydroxyflavanone , monosaccharide derivative , flavanone glycoside .


The molecule <smiles>O([C@@H]1[C@@H](NC(=O)C)[C@H](O[C@@H]([C@H]1O)CO)O)[C@H]2O[C@H]([C@@H](O)[C@@H](O)[C@@H]2O)C</smiles> <smiles>O([C@@H]1[C@@H](NC(=O)C)[C@H](O[C@@H]([C@H]1O)CO)O)[C@H]2O[C@H]([C@@H](O)[C@@H](O)[C@@H]2O)C</smiles> is an amino disaccharide that is 2-acetamido-alpha-D-glucose in which the hydroxy group at position 3 has been glycosylated by a beta-L-fucosyl group. It is also related to or classified as acetamides , amino disaccharide .


The molecule <smiles>CC1C2CC3=C(C=C(O)C=C3)C1(C)CCN2CC=C</smiles> <smiles>CC1C2CC3=C(C=C(O)C=C3)C1(C)CCN2CC=C</smiles> is an organic heterotricyclic compound that is metazocine in which the methyl group at the N-position is replaced by an allyl group. It has the role of opioid analgesic . It has the role of opioid receptor antagonist . It is also related to or classified as organic heterotricyclic compound , organic hydroxy compound , tertiary amino compound , olefinic compound .


The molecule <smiles>C[C@H]1[C@@H](CN(C(=O)C2=CC=CC(=C2OC[C@H]3[C@H](CC[C@H](O3)CCN(C1=O)C)OC)C#N)C)OC</smiles> <smiles>C[C@H]1[C@@H](CN(C(=O)C2=CC=CC(=C2OC[C@H]3[C@H](CC[C@H](O3)CCN(C1=O)C)OC)C#N)C)OC</smiles> is LSM-13404. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .


The molecule <smiles>O(C(=O)CCCCCCCCCCCCCCCCC)CCOC(=O)CCCCCCCCCCCCCCCCC</smiles> <smiles>O(C(=O)CCCCCCCCCCCCCCCCC)CCOC(=O)CCCCCCCCCCCCCCCCC</smiles> is Ethylene glycol distearate. It is also related to or classified as fatty acid ester  .


The molecule <smiles>COC(=O)C(CC1=CC=C(C=C1)[N+](=O)[O-])N</smiles> is a phenylalanine derivative that is methyl phenylalaninate substituted by a nitro group at position 4 on the benzene ring. It is an alpha-amino acid ester and a phenylalanine derivative. It derives from a 4-nitrophenylalanine.


The molecule <smiles>C=1(C=C2OC(C(C(C2=C(C1)O)=O)O)C=3C=CC(=CC3)O)OC4C(C(C(C(O4)CO)O)O)O</smiles> <smiles>C=1(C=C2OC(C(C(C2=C(C1)O)=O)O)C=3C=CC(=CC3)O)OC4C(C(C(C(O4)CO)O)O)O</smiles> is 3,5-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-3,4-dihydro-2H-chromen-7-yl hexopyranoside. It is also related to or classified as glycoside  . It is also related to or classified as flavonoids .


The molecule <smiles>CCOC(=O)C1=C(SC2=C1CCCCC2)NC(=O)C3=CC=CO3</smiles> <smiles>CCOC(=O)C1=C(SC2=C1CCCCC2)NC(=O)C3=CC=CO3</smiles> is 2-[[2-furanyl(oxo)methyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid ethyl ester. It is also related to or classified as organosulfur heterocyclic compound .


The molecule <smiles>CCCC(CCC)C(=O)[O-]</smiles> is a branched-chain saturated fatty acid anion that is the conjugate base of valproic acid. It has a role as an antimanic drug. It derives from a valerate. It is a conjugate base of a valproic acid.


The molecule <smiles>C1=C(OC)C(=CC(/C=C/C(NCCC2=CC(=C(C=C2)O)O)=O)=C1)OC</smiles> <smiles>C1=C(OC)C(=CC(/C=C/C(NCCC2=CC(=C(C=C2)O)O)=O)=C1)OC</smiles> is (2E)-N-[2-(3,4-dihydroxyphenyl)ethyl]-3-(3,4-dimethoxyphenyl)acrylamide. Its functional parent is dopamine . It is also related to or classified as carboxamide  .


The molecule <smiles>CC[NH+](CC)CC1=CC2=C(C=C1)C=C(COC(=O)NC1=CC=C(C=C1)C(=O)NO)C=C2</smiles> <smiles>CC[NH+](CC)CC1=CC2=C(C=C1)C=C(COC(=O)NC1=CC=C(C=C1)C(=O)NO)C=C2</smiles> is A tertiary ammonium ion that is the conjugate acid of givinostat resulting from the protonation of the tertiary amino group; Major species at pH 7.3. It is a conjugate acid of givinostat . It is also related to or classified as tertiary ammonium ion  .


The molecule <smiles>C1=CC2=C(C(=C1)OCC(COC3=CC=CC4=C3C(=O)C=C(O4)C(=O)[O-])O)C(=O)C=C(O2)C(=O)O</smiles> is the monocarboxylate anion of cromoglycic acid. It is a conjugate base of a cromoglycic acid. It is a conjugate acid of a cromoglycate(2-).


The molecule <smiles>[C@H]1([C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)OC[C@H]2O[C@@H]([C@H]([C@H]([C@@H]2O)O[C@@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O[C@@H]4[C@@H]([C@@H](O[C@@H]([C@H]4O)CO[C@@H]5[C@H]([C@H]([C@@H]([C@H](O5)CO[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O[C@H]7[C@@H]([C@H]([C@H]([C@H](O7)CO)O)O[C@]8(O[C@]([C@@H]([C@@H](CO)O)O)([H])[C@H](NC(C)=O)[C@@H](O)C8)C(=O)O)O)O)NC(C)=O)O)O[C@H]9[C@@H]([C@H]([C@@H]([C@H](O9)CO)O[C@H]%10[C@@H]([C@H]([C@H]([C@H](O%10)CO)O)O)O)O)NC(=O)C)O)O[C@H]%11[C@@H]([C@H]([C@@H](O[C@@H]%11CO)O[C@H]%12[C@@H]([C@H]([C@@H](O[C@@H]%12CO)O)NC(C)=O)O)NC(C)=O)O)O</smiles> <smiles>[C@H]1([C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)OC[C@H]2O[C@@H]([C@H]([C@H]([C@@H]2O)O[C@@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O[C@@H]4[C@@H]([C@@H](O[C@@H]([C@H]4O)CO[C@@H]5[C@H]([C@H]([C@@H]([C@H](O5)CO[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O[C@H]7[C@@H]([C@H]([C@H]([C@H](O7)CO)O)O[C@]8(O[C@]([C@@H]([C@@H](CO)O)O)([H])[C@H](NC(C)=O)[C@@H](O)C8)C(=O)O)O)O)NC(C)=O)O)O[C@H]9[C@@H]([C@H]([C@@H]([C@H](O9)CO)O[C@H]%10[C@@H]([C@H]([C@H]([C@H](O%10)CO)O)O)O)O)NC(=O)C)O)O[C@H]%11[C@@H]([C@H]([C@@H](O[C@@H]%11CO)O[C@H]%12[C@@H]([C@H]([C@@H](O[C@@H]%12CO)O)NC(C)=O)O)NC(C)=O)O)O</smiles> is an amino oligosaccharide that is a branched dodecasaccharide derivative comprising N-acetylneuraminic acid, D-galactose, N-acetyl-D-glucosamine and D-mannoseD residues linked as shown. It constitutes the N-glycan moiety in human thyroglobulin. It is also related to or classified as glucosamine oligosaccharide , N-glycan derivative , amino oligosaccharide .


The molecule <smiles>N[C@H](CC([O-])=O)C([O-])=O</smiles> <smiles>N[C@H](CC([O-])=O)C([O-])=O</smiles> is an aspartate(2-) that is the conjugate base of D-aspartate(1-). It is also related to or classified as aspartate(2-)  .


The molecule <smiles>O1C([C@@H](O)[C@H](O)C(O)[C@@H]1OC=2C(O)=C3C(OC(C4=CC(OC)=C(O[C@@H]5O[C@H]([C@@H](O)C(O)C5O)CO)C=C4)=C(OC)C3=O)=CC2OC)CO</smiles> <smiles>O1C([C@@H](O)[C@H](O)C(O)[C@@H]1OC=2C(O)=C3C(OC(C4=CC(OC)=C(O[C@@H]5O[C@H]([C@@H](O)C(O)C5O)CO)C=C4)=C(OC)C3=O)=CC2OC)CO</smiles> is Chrysosplenol C 6,4'-diglucoside. It is also related to or classified as glycoside  . It is also related to or classified as flavonoids .


The molecule <smiles>C1=CC=C(C=C1)CS(=O)(=O)N2[C@H]([C@@H]([C@H]2C#N)C3=CC=CC=C3)CO</smiles> <smiles>C1=CC=C(C=C1)CS(=O)(=O)N2[C@H]([C@@H]([C@H]2C#N)C3=CC=CC=C3)CO</smiles> is (2S,3R,4R)-4-(hydroxymethyl)-3-phenyl-1-(phenylmethyl)sulfonyl-2-azetidinecarbonitrile. It is also related to or classified as benzenes , ring assembly , azetidines .


The molecule <smiles>C1C[C@H](NC1)C(=O)NCC(=O)O</smiles> is a dipeptide consisting of glycine having an L-prolyl group attached to its alpha-amino nitrogen. It is a tautomer of a L-prolinylglycine zwitterion.


The molecule <smiles>C[C@@H]1CN([C@H](COC2=C(C=CC(=C2)NC(=O)C3=CC=C(C=C3)OC)C(=O)N(C[C@H]1OC)C)C)C(=O)COC</smiles> <smiles>C[C@@H]1CN([C@H](COC2=C(C=CC(=C2)NC(=O)C3=CC=C(C=C3)OC)C(=O)N(C[C@H]1OC)C)C)C(=O)COC</smiles> is 4-methoxy-N-[(5S,6R,9S)-5-methoxy-8-(2-methoxy-1-oxoethyl)-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]benzamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .


The molecule <smiles>C=1C=NC=C(C1N)CO</smiles> <smiles>C=1C=NC=C(C1N)CO</smiles> is an aminopyridine that is 4-aminopyridine which is substituted by a hydroxymethyl group at position 3. It is a potassium channel blocker which restores axonal conduction after spinal cord injury. It has the role of potassium channel blocker . Its functional parent is 4-aminopyridine . It is also related to or classified as aromatic primary alcohol  . It is also related to or classified as aminopyridine , aromatic amine .


The molecule <smiles>CC1=C2C=CC=CC2=C(C3=CC=CC=C13)CCC(=O)O</smiles> is anthracene substituted at C-9 by a propionic acid group and at C-10 by a methyl group. It is a member of anthracenes and a monocarboxylic acid.


The molecule <smiles>C[C@H]1CN([C@H](COC2=C(C=CC(=C2)NC(=O)C3=CC4=C(C=C3)OCO4)C(=O)N(C[C@@H]1OC)C)C)CCC(F)(F)F</smiles> <smiles>C[C@H]1CN([C@H](COC2=C(C=CC(=C2)NC(=O)C3=CC4=C(C=C3)OCO4)C(=O)N(C[C@@H]1OC)C)C)CCC(F)(F)F</smiles> is N-[(5R,6S,9S)-5-methoxy-3,6,9-trimethyl-2-oxo-8-(3,3,3-trifluoropropyl)-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-1,3-benzodioxole-5-carboxamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .


The molecule <smiles>CN1CCCC(=O)N(C[C@@H]2[C@H](CC[C@H](O2)CCOC3=C(C=CC=C3C1=O)C#N)OC)C</smiles> <smiles>CN1CCCC(=O)N(C[C@@H]2[C@H](CC[C@H](O2)CCOC3=C(C=CC=C3C1=O)C#N)OC)C</smiles> is LSM-13435. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .


The molecule <smiles>O1C(C(C2=C1C=CC3=C2OC(=O)C=C3)C=4C=5N(C6=C(C(=O)C5C(O)=CC4OC)C=CC(OC)=C6OC)C)C(O)(C)C</smiles> <smiles>O1C(C(C2=C1C=CC3=C2OC(=O)C=C3)C=4C=5N(C6=C(C(=O)C5C(O)=CC4OC)C=CC(OC)=C6OC)C)C(O)(C)C</smiles> is Neoacrimarine K. Its functional parent is acridone . It is also related to or classified as acridines .


The molecule <smiles>CCCC[C@@H](C)[C@H]([C@H](C[C@@H](C)C[C@@H](CCCC[C@H](C[C@@H]([C@H](C)N)O)O)O)O)O</smiles> is a pentol that is (3S,5R,10R,12S,14S,15R,16R)-12,16-dimethylicosane-3,5,10,14,15-pentol in which the pro-S hydrogen at position 2 is substituted by an amino group. It results from hydrolysis of the O-acyl bonds of fumonisin B1. It is a pentol and a primary amino compound. It is a conjugate base of a (2S,3S,5R,10R,12S,14S,15R,16R)-2-amino-12,16-dimethylicosane-3,5,10,14,15-pentol(1+).


The molecule <smiles>C[C@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)N(C)C)[C@H](C)CO)C)CN(C)CC3=CC=CC=C3</smiles> <smiles>C[C@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)N(C)C)[C@H](C)CO)C)CN(C)CC3=CC=CC=C3</smiles> is (3S,9S,10S)-16-(dimethylamino)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl-(phenylmethyl)amino]methyl]-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-13-one. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .


The molecule <smiles>CCCCCCCCCCCCCCCCOC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCC(=O)O</smiles> is a 2-acyl-1-alkyl-sn-glycero-3-phosphocholine in which the alkyl and the acyl groups at positions 1 and 2 are specified as hexadecyl and glutaryl respectively. It derives from a glutaric acid. It is a conjugate acid of a 1-hexadecyl-2-glutaryl-sn-glycero-3-phosphocholine(1-).


The molecule <smiles>COC1=CC(\C=C\C(O)=O)=CC=C1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O</smiles> <smiles>COC1=CC(\C=C\C(O)=O)=CC=C1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O</smiles> is A methoxyycinnamic acid that is ferulic acid in which the phenolic hydroxy group at position 4 has been converted into its beta-D-glucoside. It has the role of plant metabolite . Its functional parent is trans-ferulic acid . It is a conjugate acid of 4-O-beta-D-glucosyl-trans-ferulate . It is also related to or classified as beta-D-glucoside  . It is also related to or classified as monomethoxybenzene , methoxycinnamic acid , monosaccharide derivative .


The molecule <smiles>CC(=N)C(C#N)C(=O)CSC1=NC2=C(C(=CS2)C3=CC=C(C=C3)F)C(=O)N1C</smiles> <smiles>CC(=N)C(C#N)C(=O)CSC1=NC2=C(C(=CS2)C3=CC=C(C=C3)F)C(=O)N1C</smiles> is 4-[[5-(4-fluorophenyl)-3-methyl-4-oxo-2-thieno[2,3-d]pyrimidinyl]thio]-2-(1-iminoethyl)-3-oxobutanenitrile. It is also related to or classified as organic heterobicyclic compound , organonitrogen heterocyclic compound , organosulfur heterocyclic compound .


The molecule <smiles>Br/C(/CC/C=C\CCCCCCCCCCCCCCC)=C/CCCC(O)=O</smiles> <smiles>Br/C(/CC/C=C\CCCCCCCCCCCCCCC)=C/CCCC(O)=O</smiles> is 6-bromo-pentacosa-5E,9Z-dienoic acid. It is also related to or classified as very long-chain fatty acid  .


The molecule <smiles>CC1=C(C=C(C=C1)NC(=O)C2CC(=O)N3C4=CC=CC=C4NC3=N2)C</smiles> <smiles>CC1=C(C=C(C=C1)NC(=O)C2CC(=O)N3C4=CC=CC=C4NC3=N2)C</smiles> is N-(3,4-dimethylphenyl)-4-oxo-3,10-dihydro-2H-pyrimido[1,2-a]benzimidazole-2-carboxamide. Its functional parent is alpha-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .


The molecule <smiles>COc1ccc(cc1)-c1oc2cc(O)cc(O)c2c(=O)c1O</smiles> <smiles>COc1ccc(cc1)-c1oc2cc(O)cc(O)c2c(=O)c1O</smiles> is A monomethoxyflavone that is the 4'-O-methyl derivative of kaempferol. It has the role of metabolite . It has the role of antihypertensive agent . Its functional parent is kaempferol . It is a conjugate acid of kaempferide(1-) . It is also related to or classified as monomethoxyflavone  .  It is also related to or classified as 7-hydroxyflavonol  . It is also related to or classified as trihydroxyflavone .


The molecule <smiles>CC([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@H](C[C@H]([C@@H]([C@H]2O)O[C@@H]3[C@@H]([C@H]([C@@](CO3)(C)O)NC)O)N)N)N)O)O)O</smiles> is an aminoglycoside antibiotic produced by Micromonospora rhodorangea. It blocks polypeptide synthesis by inhibiting the elongation step in both prokaryotic and eukaryotic cells. It has a role as an antiinfective agent, an antiparasitic agent, an antiprotozoal drug and a coccidiostat.


The molecule <smiles>Oc1ccccc1C(=O)NNC(=O)c1ccc(cc1)-c1ccccc1</smiles> <smiles>Oc1ccccc1C(=O)NNC(=O)c1ccc(cc1)-c1ccccc1</smiles> is N'-(2-hydroxybenzoyl)biphenyl-4-carbohydrazide. Its functional parent is benzohydrazide . It is also related to or classified as carbohydrazide  .


The molecule <smiles>O1[C@@H]([C@@H](O)[C@H](O)[C@@H](O)[C@@H]1OC2=C(OC)C=C3OC(=O)C=CC3=C2)CO</smiles> <smiles>O1[C@@H]([C@@H](O)[C@H](O)[C@@H](O)[C@@H]1OC2=C(OC)C=C3OC(=O)C=CC3=C2)CO</smiles> is Magnolioside.  It is also related to or classified as glycoside  . It is also related to or classified as coumarins .


The molecule <smiles>CC[C@H](C)[C@H](C/C=C\\C[C@H]([C@@H](CC)C(=O)[O-])O)OC</smiles> is the conjugate base of methoxymycolic acid type-3 (IX). A class of mycolic acids characterized by the presence of a proximal cis C=C double bond and a distal (CH-CH3)-(CHO-CH3) fragment of (S,S) stereochemistry in the meromycolic chain.


The molecule <smiles>NC(=O)NNC(=O)c1ccccc1O</smiles> <smiles>NC(=O)NNC(=O)c1ccccc1O</smiles> is 2-(2-hydroxybenzoyl)hydrazinecarboxamide. Its functional parent is semicarbazide . Its functional parent is benzohydrazide . It is also related to or classified as carbohydrazide  .


The molecule <smiles>CC(=O)NNC(=O)c1ccccc1N</smiles> <smiles>CC(=O)NNC(=O)c1ccccc1N</smiles> is N'-acetyl-2-aminobenzohydrazide. Its functional parent is benzohydrazide . It is also related to or classified as carbohydrazide  .


The molecule <smiles>O=c1[nH]c2nc[nH]c2c(=O)[nH]1</smiles> <smiles>O=c1[nH]c2nc[nH]c2c(=O)[nH]1</smiles> is an oxopurine in which the purine ring is substituted by oxo groups at positions 2 and 6 and N-7 is protonated. It is also related to or classified as xanthine  .


The molecule <smiles>CCCCCC[C@H](C)[C@@H]1[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O1)C)C)CC(C)C)C(C)C)C</smiles> is an emericellamide derived from N-[(2R,3R,4S)-3-hydroxy-2,4-dimethyldecanoyl]glycyl-L-valyl-L-leucyl-L-alanyl-L-alanine by the formal intramolecular condensation of the alcoholic hydroxy group with the C-terminal carboxylic acid group.


The molecule <smiles>O([C@@H]1[C@@H](O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)CO)[C@@H](O[C@@H]([C@@H]1O)CO)O)[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@@H]3O)CO</smiles> <smiles>O([C@@H]1[C@@H](O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)CO)[C@@H](O[C@@H]([C@@H]1O)CO)O)[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@@H]3O)CO</smiles> is A trisaccharide that is beta-D-galactopyranose in which the hydroxy groups at positions 2 and 3 have been converted into the corresponding beta-D-glucopyranosyl and beta-D-mannopyranosyl derivatives, respectively. Its functional parent is beta-D-Glcp-(1->2)-beta-D-Galp . It is also related to or classified as trisaccharide .


The molecule <smiles>C1(=C(C=CC(=C1O)O)C=2OC3=C(C(C2O[C@@H]4O[C@@H]([C@H]([C@@H]([C@H]4O)O)O)CO[C@@H]5O[C@H]([C@@H]([C@H]([C@H]5O)O)O)C)=O)C(=CC(=C3)O)O)C=6C=7OC(C8=CC(=C(C=C8)O)O)=C(C(C7C(=CC6O)O)=O)O[C@@H]9O[C@@H]([C@H]([C@@H]([C@H]9O)O)O)CO[C@@H]%10O[C@H]([C@@H]([C@H]([C@H]%10O)O)O)C</smiles> <smiles>C1(=C(C=CC(=C1O)O)C=2OC3=C(C(C2O[C@@H]4O[C@@H]([C@H]([C@@H]([C@H]4O)O)O)CO[C@@H]5O[C@H]([C@@H]([C@H]([C@H]5O)O)O)C)=O)C(=CC(=C3)O)O)C=6C=7OC(C8=CC(=C(C=C8)O)O)=C(C(C7C(=CC6O)O)=O)O[C@@H]9O[C@@H]([C@H]([C@@H]([C@H]9O)O)O)CO[C@@H]%10O[C@H]([C@@H]([C@H]([C@H]%10O)O)O)C</smiles> is 8-[6-(3-{[6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl]oxy}-5,7-dihydroxy-4-oxo-4H-1-benzopyran-2-yl)-2,3-dihydroxyphenyl]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-1-benzopyran-3-yl 6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside. It is also related to or classified as glycoside  . It is also related to or classified as flavonoids .


The molecule <smiles>OC(C1C2(C(C3C(CC2)C4(C(=CC3)CC(OC5OC(C(O)C(O)C5O)CO)CC4=O)C)CC1)C)(C6OC(=O)C(=C(C6)C)CO)C</smiles> <smiles>OC(C1C2(C(C3C(CC2)C4(C(=CC3)CC(OC5OC(C(O)C(O)C5O)CO)CC4=O)C)CC1)C)(C6OC(=O)C(=C(C6)C)CO)C</smiles> is (3b,20R,22R)-3,20,27-Trihydroxy-1-oxowitha-5,24-dienolide 3-glucoside. It is also related to or classified as glycoside  . It is also related to or classified as withanolide .


The molecule <smiles>CN1[C@H]2CC[C@H](O[C@H]2COC3=C(C1=O)C=C(C=C3)NC(=O)C4=CC=CC=C4F)CC(=O)NCC5=CC6=C(C=C5)OCO6</smiles> <smiles>CN1[C@H]2CC[C@H](O[C@H]2COC3=C(C1=O)C=C(C=C3)NC(=O)C4=CC=CC=C4F)CC(=O)NCC5=CC6=C(C=C5)OCO6</smiles> is N-[(2S,4aS,12aR)-2-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-2-fluorobenzamide. It is also related to or classified as organohalogen compound  . It is also related to or classified as carbonyl compound .


The molecule <smiles>CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1OC[C@@H]2[C@@H]([C@@H]([C@H]([C@@H](O2)O[C@@H]3[C@H](OC([C@@H]([C@H]3O)O)O)CO)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O[C@H]5[C@@H]([C@H]([C@H]([C@H](O5)CO)O)O)O)O)NC(=O)C)O)CO)O[C@H]6[C@@H]([C@H]([C@H]([C@H](O6)CO)O)O)O)O</smiles> is a branched amino hexasaccharide, which is a constituent of human breast milk. It is an amino hexasaccharide and a glucosamine oligosaccharide.


The molecule <smiles>O[C@H]1[C@@H]([C@@H]([C@H](O[C@@H]1CO[C@@H]2[C@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O[C@]5(O[C@]([C@@H]([C@@H](CO)O)O)([H])[C@H](NC(CO)=O)[C@@H](O)C5)C(=O)O)O)O)O)NC(C)=O)O[C@@H]6[C@@H]([C@@H](O[C@@H]([C@H]6O)CO[C@@H]7[C@H]([C@H]([C@@H]([C@H](O7)CO[C@@H]8[C@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)O)O[C@@H]9[C@H]([C@H]([C@@H]([C@H](O9)CO)O)O)O)O)O[C@H]%10[C@@H]([C@H]([C@@H](O[C@@H]%10CO)O[C@H]%11[C@@H]([C@H]([C@@H](O[C@@H]%11CO)O)NC(C)=O)O)NC(C)=O)O)O)O)O[C@@H]%12[C@H]([C@H]([C@@H]([C@H](O%12)CO)O)O)O[C@H]%13[C@@H]([C@H]([C@@H]([C@H](O%13)CO)O[C@H]%14[C@@H]([C@H]([C@H]([C@H](O%14)CO)O[C@H]%15[C@@H]([C@H]([C@H]([C@H](O%15)CO)O)O)O)O)O)O)NC(C)=O</smiles> <smiles>O[C@H]1[C@@H]([C@@H]([C@H](O[C@@H]1CO[C@@H]2[C@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O[C@]5(O[C@]([C@@H]([C@@H](CO)O)O)([H])[C@H](NC(CO)=O)[C@@H](O)C5)C(=O)O)O)O)O)NC(C)=O)O[C@@H]6[C@@H]([C@@H](O[C@@H]([C@H]6O)CO[C@@H]7[C@H]([C@H]([C@@H]([C@H](O7)CO[C@@H]8[C@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)O)O[C@@H]9[C@H]([C@H]([C@@H]([C@H](O9)CO)O)O)O)O)O[C@H]%10[C@@H]([C@H]([C@@H](O[C@@H]%10CO)O[C@H]%11[C@@H]([C@H]([C@@H](O[C@@H]%11CO)O)NC(C)=O)O)NC(C)=O)O)O)O)O[C@@H]%12[C@H]([C@H]([C@@H]([C@H](O%12)CO)O)O)O[C@H]%13[C@@H]([C@H]([C@@H]([C@H](O%13)CO)O[C@H]%14[C@@H]([C@H]([C@H]([C@H](O%14)CO)O[C@H]%15[C@@H]([C@H]([C@H]([C@H](O%15)CO)O)O)O)O)O)O)NC(C)=O</smiles> is an amino oligosaccharide that is a branched pentadecasaccharide derivative comprising N-glycoloylneuraminic acid, D-galactose, N-acetyl-D-glucosamine and D-mannoseD residues linked as shown. It constitutes the N-glycan moiety in bovine thyroglobulin. It is also related to or classified as glucosamine oligosaccharide , N-glycan derivative , amino oligosaccharide .


The molecule <smiles>C1=CC=NC(=C1)C(=O)NN=CC2=CC=C(C=C2)OC(=O)C3=CC=CO3</smiles> <smiles>C1=CC=NC(=C1)C(=O)NN=CC2=CC=C(C=C2)OC(=O)C3=CC=CO3</smiles> is 2-furancarboxylic acid [4-[[[oxo(2-pyridinyl)methyl]hydrazinylidene]methyl]phenyl] ester. It is also related to or classified as phenols  . It is also related to or classified as benzoate ester .


The molecule <smiles>[C@@]1([NH2+]CCC2=C1C=C(OC)C(=C2)OC)(C[C@]3([C@]([C@@H](OC=C3C(OC)=O)O[C@@H]4O[C@@H]([C@@H](O)[C@@H]([C@H]4O)O)CO)(C=C)[H])[H])[H]</smiles> <smiles>[C@@]1([NH2+]CCC2=C1C=C(OC)C(=C2)OC)(C[C@]3([C@]([C@@H](OC=C3C(OC)=O)O[C@@H]4O[C@@H]([C@@H](O)[C@@H]([C@H]4O)O)CO)(C=C)[H])[H])[H]</smiles> is major species at pH 7.3. It is also related to or classified as ammonium ion derivative .


The molecule <smiles>[NH2+]1C(C2=C(CC1)C=C(C(=C2)OC)O)CC3=CC=C(C=C3)O</smiles> <smiles>[NH2+]1C(C2=C(CC1)C=C(C(=C2)OC)O)CC3=CC=C(C=C3)O</smiles> is major species at pH 7.3. It is also related to or classified as ammonium ion derivative .


The molecule <smiles>C[C@H](CS)C(=O)N1C[C@H](C[C@H]1C(=O)O)SC2=CC=CC=C2.C(C[C@@H](C(=O)O)N)CN=C(N)N</smiles> is an organoammonium salt obtained by combining zofenoprilat with one molar equivalent of L-arginine. It has a role as an anticonvulsant, an apoptosis inhibitor, a cardioprotective agent, an EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor and a vasodilator agent. It contains a L-argininium(1+) and a zofenoprilat(1-).


The molecule <smiles>O(C1[C@H](OC(=O)/C=C/C2=CC(O)=C(O)C=C2)CC(O)(C[C@H]1OC(=O)/C=C/C3=CC(O)=C(O)C=C3)C(O)=O)C(=O)/C=C/C4=CC(O)=C(O)C=C4</smiles> <smiles>O(C1[C@H](OC(=O)/C=C/C2=CC(O)=C(O)C=C2)CC(O)(C[C@H]1OC(=O)/C=C/C3=CC(O)=C(O)C=C3)C(O)=O)C(=O)/C=C/C4=CC(O)=C(O)C=C4</smiles> is (3R,5R)-3,4,5-tris{[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-1-hydroxycyclohexane-1-carboxylic acid.  It is also related to or classified as alkyl caffeate ester  . It is also related to or classified as quinic acid .


The molecule <smiles>CC1=CC(=NO1)NC(=O)CCCC(=O)N(CC(=O)NC2CCCCC2)C3=CC=CC=C3</smiles> <smiles>CC1=CC(=NO1)NC(=O)CCCC(=O)N(CC(=O)NC2CCCCC2)C3=CC=CC=C3</smiles> is N'-[2-(cyclohexylamino)-2-oxoethyl]-N-(5-methyl-3-isoxazolyl)-N'-phenylpentanediamide. Its functional parent is alpha-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .


The molecule <smiles>[NH3+][C@H](CCOc1ccc(cc1)C(=N\[O-])\C(=O)N[C@H]1CN([C@@H](C([O-])=O)c2ccc(O)cc2)C1=O)C([O-])=O</smiles> <smiles>[NH3+][C@H](CCOc1ccc(cc1)C(=N\[O-])\C(=O)N[C@H]1CN([C@@H](C([O-])=O)c2ccc(O)cc2)C1=O)C([O-])=O</smiles> is A dicarboxylic acid dianion that is the major structure of isonocardicin A at pH 7.3 (according to Marvin v 6.2.0.). It is also related to or classified as dicarboxylic acid dianion  .


The molecule <smiles>[C@H]1(O[C@H](C([O-])=O)[C@H]([C@@H]([C@H]1O)O)O)O[C@H](\C=C\C2=C(C(CC2)=O)CCCCCCC([O-])=O)CCCCC</smiles> <smiles>[C@H]1(O[C@H](C([O-])=O)[C@H]([C@@H]([C@H]1O)O)O)O[C@H](\C=C\C2=C(C(CC2)=O)CCCCCCC([O-])=O)CCCCC</smiles> is major species at pH 7.3. It is also related to or classified as beta-D-glucoside  . It is also related to or classified as prostaglandin carboxylic acid anion .


The molecule <smiles>C[C@@H]1CN([C@H](COC2=C(C=C(C=C2)NC(=O)NC3=CC=CC=C3)C(=O)N(C[C@H]1OC)C)C)C(=O)CC4CC4</smiles> <smiles>C[C@@H]1CN([C@H](COC2=C(C=C(C=C2)NC(=O)NC3=CC=CC=C3)C(=O)N(C[C@H]1OC)C)C)C(=O)CC4CC4</smiles> is 1-[(4S,7R,8S)-5-(2-cyclopropyl-1-oxoethyl)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-phenylurea. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .


The molecule <smiles>CC(C)(C)C1=NC(=C(S1)C2=NC(=NC=C2)N)C3=C(C(=CC=C3)NS(=O)(=O)C4=C(C=CC=C4F)F)F.CS(=O)(=O)O</smiles> is a methanesulfonate (mesylate) salt prepared from equimolar amounts of dabrafenib and methanesulfonic acid. Used for treatment of metastatic melanoma. It has a role as an antineoplastic agent and a B-Raf inhibitor. It contains a dabrafenib.


The molecule <smiles>C1(OCC2C1COC2C3=CC(=C(C(OC)=C3)OC4OC(C(O)C(O)C4O)CO)OC)C=5C=CC(=C(C5)OC6OC(C(O)C(O)C6O)CO)OC</smiles> <smiles>C1(OCC2C1COC2C3=CC(=C(C(OC)=C3)OC4OC(C(O)C(O)C4O)CO)OC)C=5C=CC(=C(C5)OC6OC(C(O)C(O)C6O)CO)OC</smiles> is 5-{4-[4-(hexopyranosyloxy)-3,5-dimethoxyphenyl]tetrahydro-1H,3H-furo[3,4-c]furan-1-yl}-2-methoxyphenyl hexopyranoside. It is also related to or classified as glycoside  . It is also related to or classified as lignan  .


The molecule <smiles>C1=COC(=C1)C(=O)NNC(=S)NC(=O)C2=CC=C(C=C2)Br</smiles> <smiles>C1=COC(=C1)C(=O)NNC(=S)NC(=O)C2=CC=C(C=C2)Br</smiles> is 4-bromo-N-[[[2-furanyl(oxo)methyl]hydrazo]-sulfanylidenemethyl]benzamide. It is also related to or classified as organohalogen compound  . It is also related to or classified as carbonyl compound .


The molecule <smiles>O.Cl.CCN(CC)CC1=CC2=C(C=C1)C=C(COC(=O)NC1=CC=C(C=C1)C(=O)NO)C=C2</smiles> <smiles>O.Cl.CCN(CC)CC1=CC2=C(C=C1)C=C(COC(=O)NC1=CC=C(C=C1)C(=O)NO)C=C2</smiles> is the monohydrate form of givinostat hydrochloride. It is a histone deacetylase inhibitor indicated for the treatment of Duchenne muscular dystrophy in patients 6 years of age and older. It has the role of antineoplastic agent . It has the role of angiogenesis inhibitor . It has the role of EC 3.5.1.98 (histone deacetylase) inhibitor . It has the role of anti-inflammatory agent . It has the role of apoptosis inducer . It is also related to or classified as hydrate .


The molecule <smiles>OC(CCCCCCCCCCCCCC(O)=O)CCC</smiles> <smiles>OC(CCCCCCCCCCCCCC(O)=O)CCC</smiles> is 15-hydroxy stearic acid. It is also related to or classified as long-chain fatty acid  .


The molecule <smiles>C[C@H]1CC[C@H]2[C@H](C2(C)C)C3=C(CC[C@@H]13)C</smiles> is a tricyclic sesquiterpene that is 1a,2,3,4,4a,5,6,7b-octahydro-1H-cyclopropa[e]azulene carrying four methyl substituents at positions 1, 1, 4 and 7. It has a role as a plant metabolite. It is a carbotricyclic compound, a sesquiterpene and a polycyclic olefin. It is an enantiomer of a (-)-alpha-gurjunene.


The molecule <smiles>C1(C(C(O)C(O)C(O1)OC2C(C(C(OC2OC=3C(C4=C(C=C(C=C4OC3C5=CC=C(C=C5)O)OC6C(C(C(C(O6)C)O)O)O)O)=O)CO)O)O)O)C</smiles> <smiles>C1(C(C(O)C(O)C(O1)OC2C(C(C(OC2OC=3C(C4=C(C=C(C=C4OC3C5=CC=C(C=C5)O)OC6C(C(C(C(O6)C)O)O)O)O)=O)CO)O)O)O)C</smiles> is 7-[(6-deoxyhexopyranosyl)oxy]-5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-1-benzopyran-3-yl 2-O-(6-deoxyhexopyranosyl)hexopyranoside. It is also related to or classified as glycoside  . It is also related to or classified as flavonoids .


The molecule <smiles>C[C@@H]1CN([C@H](COC2=C(C=C(C=C2)NC(=O)C3=NC4=CC=CC=C4S3)C(=O)N(C[C@@H]1OC)C)C)CC5=CN=CN=C5</smiles> <smiles>C[C@@H]1CN([C@H](COC2=C(C=C(C=C2)NC(=O)C3=NC4=CC=CC=C4S3)C(=O)N(C[C@@H]1OC)C)C)CC5=CN=CN=C5</smiles> is N-[(4S,7R,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(5-pyrimidinylmethyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-1,3-benzothiazole-2-carboxamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .


The molecule <smiles>C[C@@H]1[C@H](CN(C(=O)C2=CC=CC(=C2OC[C@H]3[C@H](CC[C@H](O3)CCN(C1=O)C)OC)C#N)C)OC</smiles> <smiles>C[C@@H]1[C@H](CN(C(=O)C2=CC=CC(=C2OC[C@H]3[C@H](CC[C@H](O3)CCN(C1=O)C)OC)C#N)C)OC</smiles> is LSM-13400. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .


The molecule <smiles>[3HH]</smiles> is the radioactive isotope of hydrogen with relative atomic mass 3.016049 and half-life of 12.33 years (from Greek taurhoiotatauomicronsigma, third). It contains a triton.


The molecule <smiles>O1[C@@H](O[C@H]2[C@H](O)[C@@H](NC(=O)C)C(O[C@@H]2CO)O)[C@H](NC(=O)C)[C@@H](O)[C@H](O[C@H]3O[C@@H]([C@@H](O)[C@H](O)[C@@H]3O)CO)[C@H]1CO</smiles> <smiles>O1[C@@H](O[C@H]2[C@H](O)[C@@H](NC(=O)C)C(O[C@@H]2CO)O)[C@H](NC(=O)C)[C@@H](O)[C@H](O[C@H]3O[C@@H]([C@@H](O)[C@H](O)[C@@H]3O)CO)[C@H]1CO</smiles> is an amino trisaccharide consisting of alpha-D-mannopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose and 2-acetamido-2-deoxy-D-glucopyranose residues joined in sequence by (1->4) glycosidic bonds. It is also related to or classified as acetamides , glucosamine oligosaccharide , amino trisaccharide .


The molecule <smiles>[C@@H]1(OC[C@]2([C@]1([H])CO[C@@H]2C3=CC(=C(OC4C(C(C(C(O4)CO)O)O)O)C=C3)OC)[H])C5=CC=C(OC6OC(C(C(C6O)O)O)CO)C(OC)=C5</smiles> <smiles>[C@@H]1(OC[C@]2([C@]1([H])CO[C@@H]2C3=CC(=C(OC4C(C(C(C(O4)CO)O)O)O)C=C3)OC)[H])C5=CC=C(OC6OC(C(C(C6O)O)O)CO)C(OC)=C5</smiles> is 4-{(1S,3aR,4S,6aR)-4-[4-(hexopyranosyloxy)-3-methoxyphenyl]tetrahydro-1H,3H-furo[3,4-c]furan-1-yl}-2-methoxyphenyl hexopyranoside. It is also related to or classified as glycoside  . It is also related to or classified as lignan  .


The molecule <smiles>C[C@H]1CN([C@@H](COC2=C(C=CC(=C2)NC(=O)COC)C(=O)N(C[C@H]1OC)C)C)C(=O)NC(C)C</smiles> <smiles>C[C@H]1CN([C@@H](COC2=C(C=CC(=C2)NC(=O)COC)C(=O)N(C[C@H]1OC)C)C)C(=O)NC(C)C</smiles> is (5S,6S,9R)-5-methoxy-14-[(2-methoxy-1-oxoethyl)amino]-3,6,9-trimethyl-2-oxo-N-propan-2-yl-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-triene-8-carboxamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .


The molecule <smiles>O(C1[C@@H](O)[C@H](O)C(O[C@H]1OC=2C=C3OC(=CC(=O)C3=C(O)C2)C4=CC(O)=C(O)C=C4)COC(=O)CC(O)=O)[C@@H]5OC([C@H](O)[C@H](O)C5O)C</smiles> <smiles>O(C1[C@@H](O)[C@H](O)C(O[C@H]1OC=2C=C3OC(=CC(=O)C3=C(O)C2)C4=CC(O)=C(O)C=C4)COC(=O)CC(O)=O)[C@@H]5OC([C@H](O)[C@H](O)C5O)C</smiles> is Luteolin 7-(6''-malonylneohesperidoside). It is also related to or classified as glycoside  . It is also related to or classified as flavonoids .


The molecule <smiles>C[C@H](/C=C/C[C@H]1CO[C@H]([C@@H]([C@@H]1O)O)C/C(=C/C(=O)OCCCCCCCC(=O)[O-])/C)[C@H](C)O</smiles> is a monocarboxylic acid anion resulting from the deprotonation of the carboxy group of marinolic acid C. The major species at pH 7.3. It is a monocarboxylic acid anion and a member of marilonates. It is a conjugate base of a marinolic acid C.


The molecule <smiles>O([C@@H]1[C@@H](O)[C@H](O[C@@H]([C@@H]1O)CO)O[C@@H]2[C@H](O)[C@@H](O)C(O[C@@H]2CO)O)[C@@H]3O[C@@H]([C@H](O)[C@H](O)[C@H]3O)CO</smiles> <smiles>O([C@@H]1[C@@H](O)[C@H](O[C@@H]([C@@H]1O)CO)O[C@@H]2[C@H](O)[C@@H](O)C(O[C@@H]2CO)O)[C@@H]3O[C@@H]([C@H](O)[C@H](O)[C@H]3O)CO</smiles> is A galactotriose consisting of beta-D-galactopyranose, alpha-D-galactopyranose and D-galactopyranose joined in sequence by (1->3) and (1->4) glycosidic linkages. It is also related to or classified as galactotriose .


The molecule <smiles>O(C[C@]1(O[C@@H]([C@H]([C@@H]1O)O)CO)O)P(O)(=O)O</smiles> <smiles>O(C[C@]1(O[C@@H]([C@H]([C@@H]1O)O)CO)O)P(O)(=O)O</smiles> is A D-fructofuranose 1-phosphate in which the anomeric centre has beta-configuration. It is a conjugate acid of beta-D-fructofuranose 1-phosphate(2-) . It is also related to or classified as D-fructofuranose 1-phosphate  .


The molecule <smiles>CC(C)(C)OC(=O)CNC(=O)C1=C(N=CN1)C(=O)NC(C2=CC=CC=C2)C3=CC=CC=C3</smiles> <smiles>CC(C)(C)OC(=O)CNC(=O)C1=C(N=CN1)C(=O)NC(C2=CC=CC=C2)C3=CC=CC=C3</smiles> is 2-[[[4-[[(diphenylmethyl)amino]-oxomethyl]-1H-imidazol-5-yl]-oxomethyl]amino]acetic acid tert-butyl ester. It is also related to or classified as tert-butyl ester  . It is also related to or classified as diarylmethane .


The molecule <smiles>CCCCCCCCCCCCCCCCC(C(=O)N[C@@H](COP(=O)([O-])OCC[N+](C)(C)C)[C@@H]([C@@H](CCCCCCCCCCC(C)C)O)O)O</smiles> is an N-acyl-4-hydroxy-15-methylhexadecasphinganine-1-phosphocholine in which the acyl group has 18 carbons and 0 double bonds and is 2-hydroxylated. It is a N-acyl-4-hydroxy-15-methylhexadecasphinganine-1-phosphocholine and a 15-methylhexadecaphytosphingosine.


The molecule <smiles>[C@@H]1([C@@H]([C@@](CO1)(O)CO)O)O[C@H]2[C@H](OC[C@H]3O[C@@H](OC=4C(C5=C(C=C(C=C5OC4C6=CC(=C(C=C6)O)O)O)O)=O)[C@H](O)[C@@H](O)[C@@H]3O)O[C@H]([C@H](O)[C@H]2O)C</smiles> <smiles>[C@@H]1([C@@H]([C@@](CO1)(O)CO)O)O[C@H]2[C@H](OC[C@H]3O[C@@H](OC=4C(C5=C(C=C(C=C5OC4C6=CC(=C(C=C6)O)O)O)O)=O)[C@H](O)[C@@H](O)[C@@H]3O)O[C@H]([C@H](O)[C@H]2O)C</smiles> is 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-1-benzopyran-3-yl 6-O-{6-deoxy-2-O-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]-alpha-L-mannopyranosyl}-beta-D-glucopyranoside. It is also related to or classified as glycoside  . It is also related to or classified as flavonoids .


The molecule <smiles>C[C@@H]1CN([C@H](COC2=C(C=CC(=C2)NS(=O)(=O)CC(F)(F)F)C(=O)N(C[C@H]1OC)C)C)CC3=CN=CC=C3</smiles> <smiles>C[C@@H]1CN([C@H](COC2=C(C=CC(=C2)NS(=O)(=O)CC(F)(F)F)C(=O)N(C[C@H]1OC)C)C)CC3=CN=CC=C3</smiles> is 2,2,2-trifluoro-N-[(5S,6R,9S)-5-methoxy-3,6,9-trimethyl-2-oxo-8-(3-pyridinylmethyl)-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]ethanesulfonamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .


The molecule <smiles>CCOC1=C(C=CC(=C1)C=C2C(=O)N3C(C(=C(N=C3S2)C)C(=O)OCC)C=CC4=CC=CC=C4)OC(=O)C</smiles> <smiles>CCOC1=C(C=CC(=C1)C=C2C(=O)N3C(C(=C(N=C3S2)C)C(=O)OCC)C=CC4=CC=CC=C4)OC(=O)C</smiles> is 2-[(4-acetyloxy-3-ethoxyphenyl)methylidene]-7-methyl-3-oxo-5-(2-phenylethenyl)-5H-thiazolo[3,2-a]pyrimidine-6-carboxylic acid ethyl ester. It is also related to or classified as phenols  . It is also related to or classified as benzoate ester .


The molecule <smiles>O(CC)C(=O)C=1OC=CC1</smiles> <smiles>O(CC)C(=O)C=1OC=CC1</smiles> is Ethyl furoate. Its functional parent is 2-furoic acid . It is also related to or classified as carboxylic ester  .


The molecule <smiles>C(CC(=O)[O-])C(=O)C(=O)N</smiles> is a 4-oxo monocarboxylic acid anion. It derives from a glutaramate. It is a conjugate base of a 4-oxoglutaramic acid.


The molecule <smiles>O1C(C(O)C(O)C(O)C1OC2=C(OC=3C(C2=O)=C(O)C=C(O)C3)C4=CC(OC)=C(O)C=C4)COC5OC(C(O)C(O)C5O)C</smiles> <smiles>O1C(C(O)C(O)C(O)C1OC2=C(OC=3C(C2=O)=C(O)C=C(O)C3)C4=CC(OC)=C(O)C=C4)COC5OC(C(O)C(O)C5O)C</smiles> is Keioside. It is also related to or classified as glycoside  . It is also related to or classified as flavonoids .


The molecule <smiles>CCOC(=O)C1=C(SC=C1C2=CC=C(O2)C)NC(=S)NC(=O)C3=CC=C(C=C3)F</smiles> <smiles>CCOC(=O)C1=C(SC=C1C2=CC=C(O2)C)NC(=S)NC(=O)C3=CC=C(C=C3)F</smiles> is 2-[[[[(4-fluorophenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-4-(5-methyl-2-furanyl)-3-thiophenecarboxylic acid ethyl ester. It is also related to or classified as organohalogen compound  . It is also related to or classified as carbonyl compound .


The molecule <smiles>CCCCCCCCCCCCCC(O)CCCCCCCCCCCC</smiles> <smiles>CCCCCCCCCCCCCC(O)CCCCCCCCCCCC</smiles> is A secondary fatty alcohol that is hexacosane substituted by a hydroxy group at position 13. It is also related to or classified as secondary fatty alcohol  . It is also related to or classified as hexacosanol .


The molecule <smiles>COC1=CC=CC(=C1OC)CCCCCCCCCC2CC(=C)C(=O)O2</smiles> is a butan-4-olide having a methylidene group at the 3-position and a 9-(2,3-dimethoxyphenyl)nonyl substituent at the 5-position. It is a butan-4-olide and a dimethoxybenzene.


The molecule <smiles>C1=CC(=CC=C1C2=C(C(=O)C=3C(=CC(=CC3O2)O)O)OC4C(C(C(C(O4)CO)O)O)OC5C(C(C(C(O5)CO)O)O)O)O</smiles> <smiles>C1=CC(=CC=C1C2=C(C(=O)C=3C(=CC(=CC3O2)O)O)OC4C(C(C(C(O4)CO)O)O)OC5C(C(C(C(O5)CO)O)O)O)O</smiles> is 5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-1-benzopyran-3-yl 2-O-hexopyranosylhexopyranoside. It is also related to or classified as glycoside  . It is also related to or classified as flavonoids .


The molecule <smiles>C[C@H]1CN([C@@H](COC2=C(C=CC(=C2)NC(=O)C3=CC=CC=C3OC)C(=O)N(C[C@@H]1OC)C)C)C(=O)C</smiles> <smiles>C[C@H]1CN([C@@H](COC2=C(C=CC(=C2)NC(=O)C3=CC=CC=C3OC)C(=O)N(C[C@@H]1OC)C)C)C(=O)C</smiles> is N-[(5R,6S,9R)-8-acetyl-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-2-methoxybenzamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .


The molecule <smiles>C[C@H]1C[C@]2([C@H]([C@H]1O)[C@H](C(=C)CC[C@H]3[C@H](C3(C)C)/C=C(/C2=O)\\C)O)OC(=O)/C=C/C4=CC=CC=C4</smiles> is a lathyrane diterpenoid isolated from the roots of Euphorbia micractina. It is a cinnamate ester and a lathyrane diterpenoid.


The molecule <smiles>[C@@H](COC(CCCCCCC/C=C\CCCCCCCC)=O)(COP(O)(=O)O)OC(CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)=O</smiles> <smiles>[C@@H](COC(CCCCCCC/C=C\CCCCCCCC)=O)(COP(O)(=O)O)OC(CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)=O</smiles> is A 1,2-diacyl-sn-glycerol 3-phosphate in which the 1- and 2-acyl substituent are specified as oleoyl and (4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoyl respectively; major species at pH 7.3. Its functional parent is oleic acid . It is a conjugate acid of 1-oleoyl-2-[(4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoyl]-sn-glycero-3-phosphate(2-) . It is also related to or classified as 1,2-diacyl-sn-glycerol 3-phosphate  .


The molecule <smiles>CC1=CC=C(C=C1)SC(=O)C2=C(N=C(S2)C)C(F)(F)F</smiles> <smiles>CC1=CC=C(C=C1)SC(=O)C2=C(N=C(S2)C)C(F)(F)F</smiles> is 2-methyl-4-(trifluoromethyl)-5-thiazolecarbothioic acid S-(4-methylphenyl) ester. It is also related to or classified as aromatic carboxylic acid , thiazoles .


The molecule <smiles>O[C@@H]1O[C@H](COP([O-])([O-])=O)[C@@H](O)[C@H](O)[C@H]1O</smiles> <smiles>O[C@@H]1O[C@H](COP([O-])([O-])=O)[C@@H](O)[C@H](O)[C@H]1O</smiles> is A doubly-charged organophosphate oxoanion arising from deprotonation of the phosphate OH groups of beta-D-glucose 6-phosphate; major species at pH 7.3. It has the role of fundamental metabolite . It is also related to or classified as organophosphate oxoanion .


The molecule <smiles>CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@H]1O[C@@H]2[C@H](OC([C@@H]([C@H]2O)NC(=O)C)O)COS(=O)(=O)O)CO)O)O</smiles> is an amino disaccharide comprising N-acetyl-beta-D-galactosamine and N-acetyl-6-O-sulfo-D-glucosamine residues linked (1->4). It is an amino disaccharide, an oligosaccharide sulfate, a galactosamine oligosaccharide and a glucosamine oligosaccharide.


The molecule <smiles>O[C@H]1[C@@H]([C@@H]([C@H](O[C@@H]1CO)O[C@@H]2[C@@H]([C@@H](O[C@@H]([C@H]2O)CO[C@@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O[C@H]5[C@@H]([C@H]([C@H]([C@H](O5)CO)O[C@H]6[C@@H]([C@H]([C@H]([C@H](O6)CO)O)O)O)O)O)O)NC(C)=O)O[C@H]7[C@@H]([C@H]([C@@H](O[C@@H]7CO)O[C@H]8[C@@H]([C@H]([C@@H](O[C@@H]8CO[C@H]9[C@H]([C@@H]([C@@H]([C@@H](O9)C)O)O)O)O)NC(C)=O)O)NC(C)=O)O)O)O[C@H]%10[C@@H]([C@H]([C@@H]([C@H](O%10)CO)O[C@H]%11[C@@H]([C@H]([C@H]([C@H](O%11)CO)O)O[C@]%12(O[C@]([C@@H]([C@H](C%12)O)NC(C)=O)([C@@H]([C@@H](CO)O)O)[H])C(O)=O)O)O)NC(C)=O)O</smiles> <smiles>O[C@H]1[C@@H]([C@@H]([C@H](O[C@@H]1CO)O[C@@H]2[C@@H]([C@@H](O[C@@H]([C@H]2O)CO[C@@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O[C@H]5[C@@H]([C@H]([C@H]([C@H](O5)CO)O[C@H]6[C@@H]([C@H]([C@H]([C@H](O6)CO)O)O)O)O)O)O)NC(C)=O)O[C@H]7[C@@H]([C@H]([C@@H](O[C@@H]7CO)O[C@H]8[C@@H]([C@H]([C@@H](O[C@@H]8CO[C@H]9[C@H]([C@@H]([C@@H]([C@@H](O9)C)O)O)O)O)NC(C)=O)O)NC(C)=O)O)O)O[C@H]%10[C@@H]([C@H]([C@@H]([C@H](O%10)CO)O[C@H]%11[C@@H]([C@H]([C@H]([C@H](O%11)CO)O)O[C@]%12(O[C@]([C@@H]([C@H](C%12)O)NC(C)=O)([C@@H]([C@@H](CO)O)O)[H])C(O)=O)O)O)NC(C)=O)O</smiles> is an amino oligosaccharide that is a branched undecasaccharide derivative consisting of a heptasaccharide chain of alpha-sialyl, beta-D-galactose, N-acetyl-beta-D-glucosamine, alpha-D-mannose, beta-D-mannose, and two N-acetyl-beta-D-glucosamine residues linked sequentially (2->3), (1->4), (1->2), (1->3), (1->4) and (1->4), to the beta-D-mannose residue of which is (1->6)-linked a beta-D-galactosyl-(1->4)-beta-D-galactosyl-(1->4)-N-acetyl-beta-D-glucosaminyl-(1->3)-alpha-D-mannosyl tetrasaccharide branch and to the reducing end N-acetyl-beta-D-glucosamine residue of which is (1->6)-linked an alpha-L-fucose residue. When it is the N-glycan content of the tumour necrosis factor (TNF) alpha blocker cetuximab, the terminal Neu5Ac residue may be replaced by Neu5Gc, while the fucose residue may be absent. When it is the N-glycan content of the tumour necrosis factor (TNF) alpha blocker infliximab, the terminal Neu5Ac residue may be replaced by Neu5Gc, while one or both of the fucose and terminal galactose residues may be absent. It is also related to or classified as glucosamine oligosaccharide , N-glycan derivative , amino oligosaccharide .


The molecule <smiles>CC(C)(C)[S@@](=O)N1CC2=CC(=NC(=C2[C@H]1CCO)C3=CC=CC(=C3)C4=CC=CC(=C4)C#N)C(=O)NCCN5CCCC5</smiles> <smiles>CC(C)(C)[S@@](=O)N1CC2=CC(=NC(=C2[C@H]1CCO)C3=CC=CC(=C3)C4=CC=CC(=C4)C#N)C(=O)NCCN5CCCC5</smiles> is (3R)-2-[(R)-tert-butylsulfinyl]-4-[3-(3-cyanophenyl)phenyl]-3-(2-hydroxyethyl)-N-[2-(1-pyrrolidinyl)ethyl]-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide. It is also related to or classified as nitrile  . It is also related to or classified as biphenyls .


The molecule <smiles>O(OC(C)(C)C)C(CCCCC)/C=C/C=C/CCCCCCCC(OC)=O</smiles> <smiles>O(OC(C)(C)C)C(CCCCC)/C=C/C=C/CCCCCCCC(OC)=O</smiles> is methyl 13-butylperoxy-9,11-octadecadienoate. It is also related to or classified as fatty acid methyl ester  .


The molecule <smiles>C1=CC=C2C(=C1)C(=CN2)C(C#N)SC[C@@H](C(=O)O)NC(=O)CC[C@@H](C(=O)O)N</smiles> is an S-conjugate dipeptide consisting of L-gamma-glutamyl-L-cysteine in which the the cysteine side chain is substituted by a cyano(indol-3-yl)methyl group. It has a role as a metabolite. It is a S-conjugate, a member of indoles, a nitrile and a dipeptide. It derives from a gamma-glutamylcysteine and an indole-3-acetonitrile.


The molecule <smiles>O([C@@H]1[C@@H](O)[C@H](OC=2C(C3=C(C=C(C=C3OC2C4=CC=C(C=C4)O)O)O)=O)O[C@@H]([C@H]1O)CO)[C@@H]5O[C@H]([C@H](O)[C@@H](O)[C@H]5O)C</smiles> <smiles>O([C@@H]1[C@@H](O)[C@H](OC=2C(C3=C(C=C(C=C3OC2C4=CC=C(C=C4)O)O)O)=O)O[C@@H]([C@H]1O)CO)[C@@H]5O[C@H]([C@H](O)[C@@H](O)[C@H]5O)C</smiles> is Kaempferol-3-glucoside-3''-rhamnoside. It is also related to or classified as glycoside  . It is also related to or classified as flavonoids .


The molecule <smiles>[NH3+][C@H](CCOc1ccc(cc1)C(=N\O)\C(=O)N[C@H]1CN([C@@H](C([O-])=O)c2ccc(O)cc2)C1=O)C([O-])=O</smiles> <smiles>[NH3+][C@H](CCOc1ccc(cc1)C(=N\O)\C(=O)N[C@H]1CN([C@@H](C([O-])=O)c2ccc(O)cc2)C1=O)C([O-])=O</smiles> is an alpha-amino-acid anion that is the conjugate base of nocardicin A, arising from deprotonation of the carboxy groups and protonation of the amino group. It is a conjugate acid of nocardicin A(2-) . It is also related to or classified as alpha-amino-acid anion .


The molecule <smiles>CC(=O)N[C@@H](C1=CC=CC=C1)C(=O)[O-]</smiles> is a monocarboxylic acid anion that is the conjugate base of N-acetyl-L-alpha-phenylglycine, obtained by deprotonation of the carboxy group; major species at pH 7.3. It is a N-acyl-L-alpha-amino acid anion and a monocarboxylic acid anion. It is a conjugate base of a N-acetyl-L-alpha-phenylglycine.


The molecule <smiles>CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC=3C(=O)C=4C(=CC(=CC4OC3C=5C=CC(=CC5)O)O)O)O)O)O)O)O)O</smiles> <smiles>CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC=3C(=O)C=4C(=CC(=CC4OC3C=5C=CC(=CC5)O)O)O)O)O)O)O)O)O</smiles> is 5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-1-benzopyran-3-yl 6-O-(6-deoxyhexopyranosyl)hexopyranoside. It is also related to or classified as glycoside  . It is also related to or classified as flavonoids .


The molecule <smiles>O=C(CCCCCCCCCCCCCCCCCC)CCC(O)=O</smiles> <smiles>O=C(CCCCCCCCCCCCCCCCCC)CCC(O)=O</smiles> is 4-oxo-docosanoic acid. It is also related to or classified as very long-chain fatty acid  .


The molecule <smiles>S(OC=1C=C(CC(=O)C(O)=O)C=CC1O)(O)(=O)=O</smiles> <smiles>S(OC=1C=C(CC(=O)C(O)=O)C=CC1O)(O)(=O)=O</smiles> is 3-[4-hydroxy-3-(sulfooxy)phenyl]-2-oxopropanoic acid. Its functional parent is pyruvic acid . It is also related to or classified as 2-oxo monocarboxylic acid  .


The molecule <smiles>C1=CC(=CC=C1CC(=O)N)OCC(CN)O</smiles> is a member of the class of ethanolamines that is 2-aminoethanol substituted by a [4-(2-amino-2-oxoethyl)phenoxy]methyl group at position 1. It is a metabolite of the drug atenolol. It has a role as a marine xenobiotic metabolite and a drug metabolite. It is an aromatic ether, a member of ethanolamines, a propanolamine, a monocarboxylic acid amide and a primary amino compound.


The molecule <smiles>C[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)OC2=CC(=C3C(=C2)OC(=C(C3=O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)C5=CC=C(C=C5)O)O)O)O)O</smiles> <smiles>C[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)OC2=CC(=C3C(=C2)OC(=C(C3=O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)C5=CC=C(C=C5)O)O)O)O)O</smiles> is kaempferol 3-O-beta-D-glucopyranosyl-7-O-beta-L-rhamnopyranoside. It is also related to or classified as glycoside  . It is also related to or classified as flavonoids .


The molecule <smiles>C[C@H]1CN([C@@H](COC2=C(C=CC(=C2)NC(=O)NC3=C(C=CC(=C3)F)F)C(=O)N(C[C@H]1OC)C)C)C</smiles> <smiles>C[C@H]1CN([C@@H](COC2=C(C=CC(=C2)NC(=O)NC3=C(C=CC(=C3)F)F)C(=O)N(C[C@H]1OC)C)C)C</smiles> is 1-(2,5-difluorophenyl)-3-[(5S,6S,9R)-5-methoxy-3,6,8,9-tetramethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]urea. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .


The molecule <smiles>CC(=O)NCCCC[NH2+]CCC[NH3+]</smiles> <smiles>CC(=O)NCCCC[NH2+]CCC[NH3+]</smiles> is the dication of N(8)-acetylspermidine. It has the role of human metabolite . It is a conjugate acid of N(8)-acetylspermidine . It is also related to or classified as ammonium ion derivative .


The molecule <smiles>CCC1=CN=C(S1)N2[C@H]([C@@H]([C@@H]2C#N)C3=CC=C(C=C3)C#CC(C)C)CO</smiles> <smiles>CCC1=CN=C(S1)N2[C@H]([C@@H]([C@@H]2C#N)C3=CC=C(C=C3)C#CC(C)C)CO</smiles> is (2R,3R,4R)-1-(5-ethyl-2-thiazolyl)-4-(hydroxymethyl)-3-[4-(3-methylbut-1-ynyl)phenyl]-2-azetidinecarbonitrile. It is also related to or classified as benzenes , ring assembly , azetidines .


The molecule <smiles>O1C(OC2=C(C(=O)CCC3=CC=CC=C3)C=CC(OC)=C2)C(O)C(O)C(O)C1C(O)=O</smiles> <smiles>O1C(OC2=C(C(=O)CCC3=CC=CC=C3)C=CC(OC)=C2)C(O)C(O)C(O)C1C(O)=O</smiles> is 3,4,5-trihydroxy-6-[5-methoxy-2-(3-phenylpropanoyl)phenoxy]oxane-2-carboxylic acid. It is also related to or classified as glycoside  . It is also related to or classified as flavonoids .


The molecule <smiles>CC[C@@H]1[C@@H]([C@@H]([C@H](C(=O)[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]2C[C@@]([C@H]([C@@H](O2)C)O)(C)O)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)[NH+](C)C)O)(C)O)C)C)O)C</smiles> is an erythromycin cation resulting from the protonation of the tertiary amino group of erythromycin D; the major species at pH 7.3. It is a conjugate acid of an erythromycin D.


The molecule <smiles>C1(C)C(O)C(C(C(O1)OC2=CC=C(C3=CC(C4=C(C=C(OC5C(C(C(C(CO)O5)O)O)O)C=C4O3)O)=O)C=C2)O)O</smiles> <smiles>C1(C)C(O)C(C(C(O1)OC2=CC=C(C3=CC(C4=C(C=C(OC5C(C(C(C(CO)O5)O)O)O)C=C4O3)O)=O)C=C2)O)O</smiles> is 4-[7-(hexopyranosyloxy)-5-hydroxy-4-oxo-4H-1-benzopyran-2-yl]phenyl 6-deoxyhexopyranoside. It is also related to or classified as glycoside  . It is also related to or classified as flavonoids .


The molecule <smiles>C[C@@H]1CN([C@@H](COC2=C(C=C(C=C2)NC(=O)NC3=C(ON=C3C)C)C(=O)N(C[C@H]1OC)C)C)CCC(F)(F)F</smiles> <smiles>C[C@@H]1CN([C@@H](COC2=C(C=C(C=C2)NC(=O)NC3=C(ON=C3C)C)C(=O)N(C[C@H]1OC)C)C)CCC(F)(F)F</smiles> is 1-(3,5-dimethyl-4-isoxazolyl)-3-[(4R,7R,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(3,3,3-trifluoropropyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]urea. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .


The molecule <smiles>N[C@@H](CCC(O)NC(N)=N)C(O)=O</smiles> <smiles>N[C@@H](CCC(O)NC(N)=N)C(O)=O</smiles> is A hydroxy-L-arginine that is L-arginine substituted by a hydroxy group at position 5.  It is also related to or classified as secondary alcohol  . It is also related to or classified as hydroxy-L-arginine , non-proteinogenic L-alpha-amino acid .


The molecule <smiles>[H]C(=O)CS([O-])(=O)=O</smiles> <smiles>[H]C(=O)CS([O-])(=O)=O</smiles> is an organosulfonate oxoanion that is the conjugate base of sulfoacetaldehyde; major species at pH 7.3. It is also related to or classified as alkanesulfonate oxoanion  .


The molecule <smiles>CC\C=C\C=C\C=C\C=C\CCCCCCCC([O-])=O</smiles> <smiles>CC\C=C\C=C\C=C\C=C\CCCCCCCC([O-])=O</smiles> is A straight-chain, unsaturated fatty acid anion that is the conjugate base of trans-parinaric acid, arising from deprotonation of the carboxylic acid group. It is also related to or classified as long-chain fatty acid anion  . It is also related to or classified as straight-chain fatty acid anion , polyunsaturated fatty acid anion .


The molecule <smiles>CC(=CCC/C(=C/CC/C(=C/CC/C(=C\\CC/C(=C\\CC/C(=C\\CC/C(=C\\CC/C(=C\\CC/C(=C\\CC/C(=C\\CC/C(=C\\COP(=O)([O-])OP(=O)([O-])O[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O[C@@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O)O)/C)/C)/C)/C)/C)/C)/C)/C)/C)/C)C</smiles> is an organophosphate oxoanion that is the dianion of alpha-D-Man-(1->3)-beta-D-Glc-(1->4)-alpha-D-Glc-1-diphospho-ditrans,polycis-undecaprenol arising from deprotonation of both free diphosphate OH groups; major species at pH 7.3. It is a conjugate base of an alpha-D-Man-(1->3)-beta-D-Glc-(1->4)-alpha-D-Glc-1-diphospho-ditrans,polycis-undecaprenol.


The molecule <smiles>O(P(=O)(OCC[NH3+])[O-])C[C@H](OC(CCCCCCC/C=C\C/C=C\CCCCC)=O)COC(CCCCCCCC/C=C\CCCCCC)=O</smiles> <smiles>O(P(=O)(OCC[NH3+])[O-])C[C@H](OC(CCCCCCC/C=C\C/C=C\CCCCC)=O)COC(CCCCCCCC/C=C\CCCCCC)=O</smiles> is A phosphatidylethanolamine 35:3 zwitterion in which the acyl groups at positions 1 and 2 are specified as 10Z-heptadecenoyl and linoleoyl respectively. It is also related to or classified as phosphatidylethanolamine 35:3 zwitterion  . It is also related to or classified as 1-acyl-2-linoleoyl-sn-glycero-3-phosphoethanolamine zwitterion  .


The molecule <smiles>C1(=CC(=C(C=C1)O[C@H]2[C@@H]([C@H]([C@@H]([C@@H](CO)O2)O)O)O)OC)C[C@@H](CO)[C@H](CO)CC3=CC(=C(C=C3)O)OC</smiles> <smiles>C1(=CC(=C(C=C1)O[C@H]2[C@@H]([C@H]([C@@H]([C@@H](CO)O2)O)O)O)OC)C[C@@H](CO)[C@H](CO)CC3=CC(=C(C=C3)O)OC</smiles> is 4-[(2R,3R)-4-(4-hydroxy-3-methoxyphenyl)-2,3-bis(hydroxymethyl)butyl]-2-methoxyphenyl beta-D-glucopyranoside. It is also related to or classified as glycoside  . It is also related to or classified as lignan  .


The molecule <smiles>OC(=O)Cc1ccc(OCC=C)c(Cl)c1</smiles> <smiles>OC(=O)Cc1ccc(OCC=C)c(Cl)c1</smiles> is an aromatic ether in which the ether oxygen links an allyl group to the 4-position of (3-chlorophenyl)acetic acid.A non-steroidal anti-inflammatory drug, it was withdrawn from the UK market in 1979 due to concerns with its association with vasculitis and rash. It has the role of non-steroidal anti-inflammatory drug . It has the role of non-narcotic analgesic . It has the role of drug allergen . It is also related to or classified as monocarboxylic acid , aromatic ether , monochlorobenzenes .


The molecule <smiles>CC(=O)NCC(=O)O</smiles> is an N-acylglycine where the acyl group is specified as acetyl. It has a role as a human metabolite. It is a N-acetyl-amino acid and a N-acylglycine. It is a conjugate acid of a N-acetylglycinate.


The molecule <smiles>C=1C=C(C=C(C1O)OC)CC(C(COC2C(C(C(C(O2)CO)O)O)O)CC3=CC(=C(C=C3)O)OC)CO</smiles> <smiles>C=1C=C(C=C(C1O)OC)CC(C(COC2C(C(C(C(O2)CO)O)O)O)CC3=CC(=C(C=C3)O)OC)CO</smiles> is 4-hydroxy-2,3-bis[(4-hydroxy-3-methoxyphenyl)methyl]butyl hexopyranoside. It is also related to or classified as glycoside  . It is also related to or classified as lignan  .


The molecule <smiles>C[C@H]1CN([C@@H](COC2=C(C=CC(=C2)NC(=O)COC)C(=O)N(C[C@H]1OC)C)C)CC3CC3</smiles> <smiles>C[C@H]1CN([C@@H](COC2=C(C=CC(=C2)NC(=O)COC)C(=O)N(C[C@H]1OC)C)C)CC3CC3</smiles> is N-[(5S,6S,9R)-8-(cyclopropylmethyl)-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-2-methoxyacetamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .


The molecule <smiles>[NH2+]1C(C2=C(CC1)C=C(C(=C2)OC)OC)CC3=CC=C(C=C3)O</smiles> <smiles>[NH2+]1C(C2=C(CC1)C=C(C(=C2)OC)OC)CC3=CC=C(C=C3)O</smiles> is major species at pH 7.3. It is also related to or classified as ammonium ion derivative .


The molecule <smiles>CCC(=O)NC1=CC2=C(C=C1)C(=O)N(C[C@@H]([C@@H](CN([C@H](CO2)C)CCC3=CC=CC=C3)C)OC)C</smiles> <smiles>CCC(=O)NC1=CC2=C(C=C1)C(=O)N(C[C@@H]([C@@H](CN([C@H](CO2)C)CCC3=CC=CC=C3)C)OC)C</smiles> is N-[(5R,6R,9S)-5-methoxy-3,6,9-trimethyl-2-oxo-8-(2-phenylethyl)-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]propanamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .


The molecule <smiles>CC(C)C[C@H](NC(=O)[C@@H](CC1=CC2=C(C=CC=C2)C=C1)NC(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)[C@H](CO)NC(=O)[C@H](CC1=CNC2=C1C=CC=C2)NC(=O)[C@H](CC1=CNC=N1)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)NCC(N)=O</smiles> <smiles>CC(C)C[C@H](NC(=O)[C@@H](CC1=CC2=C(C=CC=C2)C=C1)NC(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)[C@H](CO)NC(=O)[C@H](CC1=CNC2=C1C=CC=C2)NC(=O)[C@H](CC1=CNC=N1)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)NCC(N)=O</smiles> is an oligopeptide comprising of 5-oxo-L-proline, L-histidine, L-tryptophan, L-serine, L-tyrosine, 3-(2-naphthyl)-D-alanine, L-leucine, L-arginine and L-prolylglycinamide residues joined sequence by peptide linkages. It is a gonadotropin releasing hormone agonist that is used to treat central precocious puberty in children and endometriosis in women. It has the role of anti-estrogen . It has the role of gonadotropin releasing hormone agonist . It is also related to or classified as oligopeptide  .


The molecule <smiles>C[C@@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NS(=O)(=O)C3=CC=CC=C3)[C@H](C)CO)C)CN(C)C(=O)CCC(F)(F)F</smiles> <smiles>C[C@@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NS(=O)(=O)C3=CC=CC=C3)[C@H](C)CO)C)CN(C)C(=O)CCC(F)(F)F</smiles> is N-[[(3R,9S,10R)-16-(benzenesulfonamido)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-4,4,4-trifluoro-N-methylbutanamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .


The molecule <smiles>[H][C@@]12CC[C@](O)(C(=O)COC(=O)CCCCCCC(=O)N(C)CCS([O-])(=O)=O)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])C[C@H](C)C2=CC(=O)C=C[C@]12C</smiles> <smiles>[H][C@@]12CC[C@](O)(C(=O)COC(=O)CCCCCCC(=O)N(C)CCS([O-])(=O)=O)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])C[C@H](C)C2=CC(=O)C=C[C@]12C</smiles> is an organosulfonate oxoanion that is the conjugate base of methylprednisolone 21-suleptanic acid ester, obtained by deprotonation of the sulfo group. Major species at pH 7.3. It is also related to or classified as organosulfonate oxoanion  .


The molecule <smiles>CC(O)=O.CC(C)C[C@H](NC(=O)[C@@H](CC1=CC2=C(C=CC=C2)C=C1)NC(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)[C@H](CO)NC(=O)[C@H](CC1=CNC2=C1C=CC=C2)NC(=O)[C@H](CC1=CNC=N1)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)NCC(N)=O</smiles> <smiles>CC(O)=O.CC(C)C[C@H](NC(=O)[C@@H](CC1=CC2=C(C=CC=C2)C=C1)NC(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)[C@H](CO)NC(=O)[C@H](CC1=CNC2=C1C=CC=C2)NC(=O)[C@H](CC1=CNC=N1)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)NCC(N)=O</smiles> is an acetate salt obtained by reaction of nafarelin with one equivalent of acetic acid. It has the role of anti-estrogen . It has the role of gonadotropin releasing hormone agonist . It is also related to or classified as acetate salt .


The molecule <smiles>C[C@H](CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@@H](CC4=CC(=O)CC[C@]34C)O)C)CO</smiles> is an oxysterol that is cholesterol which is substituted by an oxo group at position 3 and hydroxy groups at positions 7alpha and 26. It has R-configuration at position 25. It has a role as a human metabolite. It is a 26-hydroxy steroid, a 3-oxo steroid, a 7alpha-hydroxy steroid and a cholestanoid.


The molecule <smiles>CC(C)[C@H]1COCC2=CN(CC[C@@H](C(=O)N1)CC3=CC=CC=C3)N=N2</smiles> <smiles>CC(C)[C@H]1COCC2=CN(CC[C@@H](C(=O)N1)CC3=CC=CC=C3)N=N2</smiles> is (4S,7S)-4-(phenylmethyl)-7-propan-2-yl-9-oxa-1,6,12,13-tetrazabicyclo[9.2.1]tetradeca-11(14),12-dien-5-one. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .


The molecule <smiles>[Na+].[H][C@@]12CC[C@](O)(C(=O)COC(=O)CCCCCCC(=O)N(C)CCS([O-])(=O)=O)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])C[C@H](C)C2=CC(=O)C=C[C@]12C</smiles> <smiles>[Na+].[H][C@@]12CC[C@](O)(C(=O)COC(=O)CCCCCCC(=O)N(C)CCS([O-])(=O)=O)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])C[C@H](C)C2=CC(=O)C=C[C@]12C</smiles> is an organic sodium salt that is the monosodium salt of methylprednisolone 21-suleptanic acid ester. It is a prodrug of methylprednisolone developed by Pharmacia Corp for the treatment of asthma. It has the role of anti-asthmatic drug . It has the role of prodrug . It has the role of glucocorticoid receptor agonist . It has the role of anti-inflammatory agent . It is also related to or classified as organic sodium salt .


The molecule <smiles>C[C@H](C(=O)[O-])O[C@H]1[C@@H]([C@H](OC([C@@H]1NC(=O)C)OP(=O)([O-])OP(=O)([O-])OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)CO)O</smiles> is a nucleotide-sugar oxoanion arising from deprotonation of the carboxy and diphosphate OH groups of UDP-N-acetylmuramic acid; major species at pH 7.3. It is a conjugate base of an UDP-N-acetylmuramic acid.


The molecule <smiles>[H][C@]12[C@H](CC([O-])=O)[C@@](C)(CCC([O-])=O)C3=[N+]1[Co--]14N5C([C@@H](CCC([O-])=O)[C@](C)(CC([O-])=O)[C@]25C)=C(C)C2=[N+]1C(C[C@@]1(C)C(C)=C(CCC([O-])=O)C(C3C)=[N+]41)=C(CCC([O-])=O)[C@]2(C)CC([O-])=O</smiles> <smiles>[H][C@]12[C@H](CC([O-])=O)[C@@](C)(CCC([O-])=O)C3=[N+]1[Co--]14N5C([C@@H](CCC([O-])=O)[C@](C)(CC([O-])=O)[C@]25C)=C(C)C2=[N+]1C(C[C@@]1(C)C(C)=C(CCC([O-])=O)C(C3C)=[N+]41)=C(CCC([O-])=O)[C@]2(C)CC([O-])=O</smiles> is A precorrin carboxylic acid anion obtained by global deprotonation of the carboxy groups of cobalt-precorrin-8. It is also related to or classified as precorrin carboxylic acid anion .


The molecule <smiles>O(C1C(O)C(O)C(OC1OC2=C(OC=3C(C2=O)=C(O)C=C(O)C3)C4=CC(OC)=C(O)C=C4)C)C5OC(C(O)C(O)C5O)CO</smiles> <smiles>O(C1C(O)C(O)C(OC1OC2=C(OC=3C(C2=O)=C(O)C=C(O)C3)C4=CC(OC)=C(O)C=C4)C)C5OC(C(O)C(O)C5O)CO</smiles> is Isorhamnetin 3-O-[b-D-glucopyranosyl-(1->2)-a-L-rhamnopyranoside]. It is also related to or classified as glycoside  . It is also related to or classified as flavonoids .


The molecule <smiles>[C@]1(C(=C(NC(=C1P2(OCC(CO2)(C)C)=O)C)C)C(OCCN(CC3=CC=CC=C3)C4=CC=CC=C4)=O)(C=5C=C(C=CC5)[N+](=O)[O-])[H]</smiles> <smiles>[C@]1(C(=C(NC(=C1P2(OCC(CO2)(C)C)=O)C)C)C(OCCN(CC3=CC=CC=C3)C4=CC=CC=C4)=O)(C=5C=C(C=CC5)[N+](=O)[O-])[H]</smiles> is A 2-[benzyl(phenyl)amino]ethyl 5-(5,5-dimethyl-2-oxido-1,3,2-dioxaphosphinan-2-yl)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate that has (S)-configuration. It is a blocker of L- and T-type Ca(2+) channels. It has the role of calcium channel blocker . It is also related to or classified as 2-[benzyl(phenyl)amino]ethyl 5-(5,5-dimethyl-2-oxido-1,3,2-dioxaphosphinan-2-yl)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate  .


The molecule <smiles>C1CC(=O)N[C@H]1C(=O)O</smiles> is the D-enantiomer of 5-oxoproline. It has a role as a metabolite. It is a D-proline derivative and a 5-oxoproline. It is a conjugate acid of a 5-oxo-D-prolinate. It is an enantiomer of a 5-oxo-L-proline.


The molecule <smiles>CN(C)CCCN1c2ccccc2Sc2ccc(cc12)C(C)=O</smiles> <smiles>CN(C)CCCN1c2ccccc2Sc2ccc(cc12)C(C)=O</smiles> is A member of the class of  phenothiazines that is 10H-phenothiazine substituted by an acetyl group at position 2 and a 3-(dimethylamino)propyl group at position 10. It has the role of phenothiazine antipsychotic drug . It is also related to or classified as phenothiazines , tertiary amino compound , methyl ketone , aromatic ketone .


The molecule <smiles>C=12OC(=CC(C1C(=CC(=C2[C@@H]3[C@@H](CN(CC3)C)O)O)O)=O)C4=C(C=CC=C4)Cl</smiles> <smiles>C=12OC(=CC(C1C(=CC(=C2[C@@H]3[C@@H](CN(CC3)C)O)O)O)=O)C4=C(C=CC=C4)Cl</smiles> is A synthetic dihydroxyflavone that is 5,7-dihydroxyflavone which is substituted by a 3-hydroxy-1-methylpiperidin-4-yl group at position 8 and by a chlorine at the 2' position (the (-)-3S,4R stereoisomer). A cyclin-dependent kinase 9 (CDK9) inhibitor, it has been studied for the treatment of acute myeloid leukaemia, arthritis and atherosclerotic plaque formation. It has the role of antineoplastic agent . It has the role of antirheumatic drug . It has the role of apoptosis inducer . It has the role of EC 2.7.11.22 (cyclin-dependent kinase) inhibitor . It is also related to or classified as dihydroxyflavone , hydroxypiperidine , tertiary amino compound , monochlorobenzenes .


The molecule <smiles>[C@@]1(C(=C(NC(=C1P2(OCC(CO2)(C)C)=O)C)C)C(OCCN(CC3=CC=CC=C3)C4=CC=CC=C4)=O)(C=5C=C(C=CC5)[N+](=O)[O-])[H]</smiles> <smiles>[C@@]1(C(=C(NC(=C1P2(OCC(CO2)(C)C)=O)C)C)C(OCCN(CC3=CC=CC=C3)C4=CC=CC=C4)=O)(C=5C=C(C=CC5)[N+](=O)[O-])[H]</smiles> is A 2-[benzyl(phenyl)amino]ethyl 5-(5,5-dimethyl-2-oxido-1,3,2-dioxaphosphinan-2-yl)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate that has (R)-configuration. It is a selective blocker of T-type Ca(2+) channels. It has the role of calcium channel blocker . It is also related to or classified as 2-[benzyl(phenyl)amino]ethyl 5-(5,5-dimethyl-2-oxido-1,3,2-dioxaphosphinan-2-yl)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate  .


The molecule <smiles>O=C(N(C=1C=CC=CC1F)C2CCN(CCC=3C=CC=CC3)CC2)COC</smiles> <smiles>O=C(N(C=1C=CC=CC1F)C2CCN(CCC=3C=CC=CC3)CC2)COC</smiles> is A monocarboxylic acid amide resulting from the formal condensation of the aryl amino group of N-(2-fluorophenyl)-1-(2-phenylethyl)piperidin-4-amine with methoxyacetic acid. It is a synthetic analogue of fentanyl. It has the role of opioid analgesic . It has the role of mu-opioid receptor agonist . It is also related to or classified as ether  .  It is also related to or classified as monocarboxylic acid amide  .  It is also related to or classified as monofluorobenzenes  . It is also related to or classified as piperidines , tertiary amino compound .


The molecule <smiles>CN(C=O)C1=C(N=C(NC1=O)N)N</smiles> is a pyrimidine derivative having amino substituents in the 2- and 6-positions, a hydroxy substituent at the 4-position and an N-methylformamido group at the 5-position. It is an aminopyrimidine, a formamidopyrimidine and a hydroxypyrimidine.


The molecule <smiles>C[C@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC3=CC=C(C=C3)C(F)(F)F)[C@H](C)CO)C)CN(C)S(=O)(=O)C4=CC=C(C=C4)Cl</smiles> <smiles>C[C@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC3=CC=C(C=C3)C(F)(F)F)[C@H](C)CO)C)CN(C)S(=O)(=O)C4=CC=C(C=C4)Cl</smiles> is 1-[(3S,9S,10R)-9-[[(4-chlorophenyl)sulfonyl-methylamino]methyl]-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-[4-(trifluoromethyl)phenyl]urea. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .


The molecule <smiles>C[C@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NS(=O)(=O)C3=CN(C=N3)C)[C@H](C)CO)C)CN(C)CC4CC4</smiles> <smiles>C[C@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NS(=O)(=O)C3=CN(C=N3)C)[C@H](C)CO)C)CN(C)CC4CC4</smiles> is N-[(3S,9S,10R)-9-[[cyclopropylmethyl(methyl)amino]methyl]-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-1-methyl-4-imidazolesulfonamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .


The molecule <smiles>N(C([C@](NC(=O)N1C(=O)C(=O)N(CC1)CC)([C@H](C)O)[H])=O)[C@@]2(OC)[C@@]3(N(C2=O)C(C(O)=O)=C(CS3)CSC=4N(C)N=NN4)[H]</smiles> <smiles>N(C([C@](NC(=O)N1C(=O)C(=O)N(CC1)CC)([C@H](C)O)[H])=O)[C@@]2(OC)[C@@]3(N(C2=O)C(C(O)=O)=C(CS3)CSC=4N(C)N=NN4)[H]</smiles> is A second-generation cephamycin antibiotic having [(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl and {N-[(4-ethyl-2,3-dioxopiperazin-1-yl)carbonyl]-D-threonyl}amino side groups located at positions 3 and 7beta respectively. It is also related to or classified as peptide  . It is also related to or classified as cephalosporin  .


The molecule <smiles>[H][C@]12CC[C@@]3([H])[C@]4([H])CC[C@]([H])([C@H](C)CCC(=O)NCC([O-])=O)[C@@]4(C)CC[C@]3([H])[C@@]1(C)CC[C@@H](O)C2</smiles> <smiles>[H][C@]12CC[C@@]3([H])[C@]4([H])CC[C@]([H])([C@H](C)CCC(=O)NCC([O-])=O)[C@@]4(C)CC[C@]3([H])[C@@]1(C)CC[C@@H](O)C2</smiles> is A N-acylglycinate that is the conjugate base of glycolithocholic acid; major species at pH 7.3. It has the role of human metabolite . It is also related to or classified as N-acylglycinate  .


The molecule <smiles>CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)O[C@@H]2[C@H]([C@@H](O[C@@H]([C@@H]2O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)O)O)NC(=O)C)CO)O)O)O</smiles> is an amino tetrasaccharide comprising an alpha-N-acetylneuraminyl residue (2->3)-linked to a beta-D-galactopyranosyl residue which is itself linked at position 4 to a beta-D-galactopyranosyl-(1->3)-2-(acetylamino)-2-deoxy-beta-D-galactopyranosyl group. It is a galactosamine oligosaccharide and an amino tetrasaccharide.


The molecule <smiles>O1C(C2C(C(OC2=O)C3=CC(OC)=C(O)C=C3)C1=O)C4=CC(OC)=C(O)C=C4</smiles> <smiles>O1C(C2C(C(OC2=O)C3=CC(OC)=C(O)C=C3)C1=O)C4=CC(OC)=C(O)C=C4</smiles> is Dehydrodiferulic dilactone. It is also related to or classified as lactone  . It is also related to or classified as lignan  .


The molecule <smiles>O(C(=O)CCCCCC/C=C\C/C=C\C/C=C\CCCCC)CC</smiles> <smiles>O(C(=O)CCCCCC/C=C\C/C=C\C/C=C\CCCCC)CC</smiles> is Dihomo-gamma-linolenic acid ethyl ester. It is also related to or classified as fatty acid ester  .


The molecule <smiles>CCNC(=O)Cc1ccccc1</smiles> <smiles>CCNC(=O)Cc1ccccc1</smiles> is A monocarboxylic acid amide obtained by formal condensation of the carboxy group of phenylacetic acid with the amino group of ethylamine. It has the role of mammalian metabolite . It has the role of xenobiotic metabolite . Its functional parent is phenylacetic acid . It is also related to or classified as monocarboxylic acid amide  .


The molecule <smiles>O(C(=O)C=1C=CC=NC1)[C@H]2[C@H](OC(=O)C=3C=CC=NC3)[C@H](O[C@@]2(COC(=O)C=4C=CC=NC4)O)COC(=O)C=5C=CC=NC5</smiles> <smiles>O(C(=O)C=1C=CC=NC1)[C@H]2[C@H](OC(=O)C=3C=CC=NC3)[C@H](O[C@@]2(COC(=O)C=4C=CC=NC4)O)COC(=O)C=5C=CC=NC5</smiles> is nicofuranose. Its functional parent is tetracarboxylic acid . It is also related to or classified as organooxygen compound .


The molecule <smiles>C[NH2+][C@@H](CCSC)C(=O)[O-]</smiles> is zwitterionic form of N-methyl-L-methionine arising from transfer of a proton from the carboxy to the amino group; major species at pH 7.3. It is a tautomer of a N-methyl-L-methionine.


The molecule <smiles>CCCCCCCCCCCCCC/C=C\\OC[C@H](COP(=O)(O)OCCN)OC(=O)CCCCCCC/C=C\\C/C=C\\CCCCC</smiles> is a 1-(alk-1-enyl)-2-acyl-sn-glycero-3-phosphoethanolamine in which the alkenyl and acyl groups are specified as (1Z)-hexadecenyl and linoleoyl respectively. It has a role as a mouse metabolite. It derives from a linoleic acid. It is a tautomer of a 1-(1Z-hexadecenyl)-2-linoleoyl-sn-glycero-3-phosphoethanolamine zwitterion.


The molecule <smiles>O(CCO)C1=C2C(OC(=CC2=O)C3=CC(O)=C(C=C3)OC)=CC(=C1)O[C@@H]4O[C@H](CO[C@H]5[C@H](O)[C@H](O)[C@H]([C@@H](O5)C)O)[C@H]([C@@H]([C@H]4O)O)O</smiles> <smiles>O(CCO)C1=C2C(OC(=CC2=O)C3=CC(O)=C(C=C3)OC)=CC(=C1)O[C@@H]4O[C@H](CO[C@H]5[C@H](O)[C@H](O)[C@H]([C@@H](O5)C)O)[C@H]([C@@H]([C@H]4O)O)O</smiles> is hidrosmin. It is also related to or classified as glycoside  . It is also related to or classified as flavonoids .


The molecule <smiles>C(COP(=O)(O)OC[C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O[C@H]2[C@H]([C@@H]([C@H](O[C@@H]2OC[C@@H]3[C@H]([C@@H]([C@@H]([C@H](O3)O[C@@H]4[C@H](O[C@@H]([C@@H]([C@H]4O)N)O)CO)O)O)O)CO)O)O)O)O)O)N</smiles> is an amino tetrasaccharide consisting of a 6-O-[(2-aminoethoxy)(hydroxy)phosphoryl-alpha-D-mannopyranosyl residue, two alpha-D-mannopyranosyl residues, and a 2-amino-alpha-D-glucose residue linked together in sequence by (1->2), (1->6) and (1->4) glycosidic bonds. It is an oligosaccharide phosphate and an amino tetrasaccharide.


The molecule <smiles>N[C@H](CC1=CC2=CC=CC=C2C=C1)C(O)=O</smiles> <smiles>N[C@H](CC1=CC2=CC=CC=C2C=C1)C(O)=O</smiles> is A 3-naphthalen-2-ylalanine that has D-confliguration. It is also related to or classified as 3-naphthalen-2-ylalanine  .


The molecule <smiles>C=1(N2[C@](SCC1COC(N)=O)([C@@](C2=O)(NC(/C(/C=3OC=CC3)=N\OC)=O)[H])[H])C(OC(C)OC(=O)C(C)(C)OC)=O</smiles> <smiles>C=1(N2[C@](SCC1COC(N)=O)([C@@](C2=O)(NC(/C(/C=3OC=CC3)=N\OC)=O)[H])[H])C(OC(C)OC(=O)C(C)(C)OC)=O</smiles> is cefuroxime pivoxetil.  It is also related to or classified as cephalosporin  . It is also related to or classified as carbamate ester .


The molecule <smiles>C1=CC=C2C(=C1)[C@H]([C@@H](C3=CC=CC=C3N2C(=O)N)O)O</smiles> is a dibenzoazepine that is 10,11-dihydro-5H-dibenzo[b,f]azepine-5-carboxamide substituted by hydroxy groups at positions 10 and 11. It is a metabolite of the drug carbamazepine. It has a role as a marine xenobiotic metabolite and a drug metabolite. It is a member of ureas, a diol and a dibenzoazepine.


The molecule <smiles>C1C[C@@H]2[C@H](COC[C@@H](CN2C(=O)C3=CN=CC=C3)O)O[C@@H]1CC(=O)NCC4=CC=CC=C4</smiles> <smiles>C1C[C@@H]2[C@H](COC[C@@H](CN2C(=O)C3=CN=CC=C3)O)O[C@@H]1CC(=O)NCC4=CC=CC=C4</smiles> is 2-[(3R,6aR,8S,10aR)-3-hydroxy-1-[oxo(3-pyridinyl)methyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-(phenylmethyl)acetamide. It is also related to or classified as pyridinemonocarboxylic acid , aromatic carboxylic acid .


The molecule <smiles>O([C@]1([C@@H](NC)[C@H](O)[C@H]([C@@H](O1)CO)O)[H])[C@H]2[C@H](O[C@@]3([C@@H](NC(=N)N)[C@H](O)[C@H]([C@@H]([C@H]3O)O)NC(=N)N)[H])O[C@H]([C@@H]2CO)C</smiles> <smiles>O([C@]1([C@@H](NC)[C@H](O)[C@H]([C@@H](O1)CO)O)[H])[C@H]2[C@H](O[C@@]3([C@@H](NC(=N)N)[C@H](O)[C@H]([C@@H]([C@H]3O)O)NC(=N)N)[H])O[C@H]([C@@H]2CO)C</smiles> is desoxymycin. It is also related to or classified as glycoside  . It is also related to or classified as amino cyclitol .


The molecule <smiles>C[C@]12CC[C@](C[C@H]1C3=CC(=O)[C@@H]4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4([C@@]3(CC2)C)C)(C)C)O[C@@H]6[C@@H]([C@H]([C@@H]([C@H](O6)C(=O)[O-])O)O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)C(=O)[O-])O)O)O)C)(C)C(=O)[O-]</smiles> is a tricarboxylic acid trianion that is the conjugate base of glycyrrhizinic acid. It is a conjugate base of a glycyrrhizinic acid.


The molecule <smiles>C[C@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC3=CC=C(C=C3)C(F)(F)F)[C@H](C)CO)C)CN(C)C(=O)CC4=CC=CC=C4</smiles> <smiles>C[C@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC3=CC=C(C=C3)C(F)(F)F)[C@H](C)CO)C)CN(C)C(=O)CC4=CC=CC=C4</smiles> is N-[[(3S,9S,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-16-[[oxo-[4-(trifluoromethyl)anilino]methyl]amino]-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N-methyl-2-phenylacetamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .


The molecule <smiles>O=C(N1CC(=O)N(C(=O)C1)CCC2=CC=CC=C2)C3CCCCC3</smiles> <smiles>O=C(N1CC(=O)N(C(=O)C1)CCC2=CC=CC=C2)C3CCCCC3</smiles> is 4-(cyclohexylcarbonyl)-1-phenethylpiperazine-2,6-dione. Its functional parent is alpha-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .


The molecule <smiles>C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O)O)O</smiles> is a disaccharide consisting of beta-D-glucuronic acid linked (1->3) to a beta-D-galactose residue. It has a role as an epitope. It is a member of glucuronic acids and a glycosylgalactose.


The molecule <smiles>[H][C@@]1(O[C@H](O[C@H](CO)[C@@]2([H])O[C@H](O[C@H]3[C@@H](O)[C@H](O)[C@]([H])(O[C@@H]3O[C@H]3[C@@H](O)[C@H](O)[C@]([H])(O[C@@H]3OCCCN)[C@H](O)CO)[C@H](O)CO)[C@@H](O)[C@@H](O)[C@@H]2O)[C@@H](O)[C@@H](O)[C@@H]1O)[C@H](O)CO</smiles> <smiles>[H][C@@]1(O[C@H](O[C@H](CO)[C@@]2([H])O[C@H](O[C@H]3[C@@H](O)[C@H](O)[C@]([H])(O[C@@H]3O[C@H]3[C@@H](O)[C@H](O)[C@]([H])(O[C@@H]3OCCCN)[C@H](O)CO)[C@H](O)CO)[C@@H](O)[C@@H](O)[C@@H]2O)[C@@H](O)[C@@H](O)[C@@H]1O)[C@H](O)CO</smiles> is A linear synthetic tetrasaccharide derivative consisting of four D-glycero-alpha-D-manno-heptopyranose residue linked in sequence (1->6),(1->2), (1->2), (1->2). An aminopropyl linker at the reducing end enables printing onto microscope slides. One of a series of substructures of the Helicobacter pylori O6 O-antigen tridecasaccharide O-antigen used for its immunological evaluation. It is also related to or classified as alpha-L-Fuc-(1->2)-beta-D-Gal-(1->4)-[alpha-L-Fuc-(1->3)]-beta-D-GlcNAc-(1->3)-beta-D-Gal-(1->3)-alpha-DD-Hep-(1->3)-alpha-DD-Hep-(1->3)-alpha-DD-Hep-(1->3)-alpha-DD-Hep-(1->3)-alpha-DD-Hep-(1->6)-alpha-DD-Hep-(1->2)-alpha-DD-Hep-(1->2)-alpha-DD-Hep-O[CH2]3NH2  .  It is also related to or classified as glycoside  . It is also related to or classified as tetrasaccharide derivative .


The molecule <smiles>[H][C@@]1(CCC(=O)OC1)[C@@]1([H])CC[C@]2([H])[C@]3([H])CCC4CCCC[C@]4(C)[C@@]3([H])CC[C@]12C</smiles> <smiles>[H][C@@]1(CCC(=O)OC1)[C@@]1([H])CC[C@]2([H])[C@]3([H])CCC4CCCC[C@]4(C)[C@@]3([H])CC[C@]12C</smiles> is bufanolide. It is also related to or classified as steroid lactone , steroid fundamental parent .


The molecule <smiles>C1C(OC(=O)C2=C1C=CC=C2O)C3=CC=C(C=C3)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO[C@H]5[C@@H]([C@](CO5)(CO)O)O)O)O)O</smiles> is a member of the class of dihydroisocoumarins that is hydrangenol attached to a beta-D-apiofuranosyl-(1->6)-beta-D-glucopyranosyl residue at position 4' via a glycosidic linkage. It has been isolated from the roots of Scorzonera judaica. It has a role as a metabolite and a plant metabolite. It is a member of dihydroisocoumarins, a member of phenols and a disaccharide derivative. It derives from a hydrangenol.


The molecule <smiles>CC(C)NC(=O)N1C[C@@H]2[C@@H]([C@H](N2C(=O)C1)CO)C3=CC=C(C=C3)C#CC4=CC=C(C=C4)OC</smiles> <smiles>CC(C)NC(=O)N1C[C@@H]2[C@@H]([C@H](N2C(=O)C1)CO)C3=CC=C(C=C3)C#CC4=CC=C(C=C4)OC</smiles> is (6S,7S,8S)-8-(hydroxymethyl)-7-[4-[2-(4-methoxyphenyl)ethynyl]phenyl]-2-oxo-N-propan-2-yl-1,4-diazabicyclo[4.2.0]octane-4-carboxamide. It is also related to or classified as benzenes , ring assembly , azetidines .


The molecule <smiles>CC[C@@H](C)CCCCC(=O)N[C@@H](CCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCN)C(=O)N[C@H]1CCNC(=O)[C@@H](NC(=O)[C@H](CCN)NC(=O)[C@H](CCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](CCN)NC1=O)[C@@H](C)O</smiles> <smiles>CC[C@@H](C)CCCCC(=O)N[C@@H](CCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCN)C(=O)N[C@H]1CCNC(=O)[C@@H](NC(=O)[C@H](CCN)NC(=O)[C@H](CCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](CCN)NC1=O)[C@@H](C)O</smiles> is A polymyxin having a (6R)-6-methyloctanoyl group at the amino terminus. It is also related to or classified as peptide antibiotic , polymyxin .


The molecule <smiles>O(C1C(OC(C(=O)C1O)C)C2=C(O)C3=C(OC(=CC3=O)C4=CC(OC)=C(O)C=C4)C=C2O)C5OC(C(O)C(O)C5O)C</smiles> <smiles>O(C1C(OC(C(=O)C1O)C)C2=C(O)C3=C(OC(=CC3=O)C4=CC(OC)=C(O)C=C4)C=C2O)C5OC(C(O)C(O)C5O)C</smiles> is Maysin 3'-methyl ether. It is also related to or classified as C-glycosyl compound , flavonoids .


The molecule <smiles>O[C@@]12[C@]3([C@@]([C@]4(C)C(CC3)=C[C@H](CC4)O[C@]5([C@H](O)[C@H](O)[C@H]([C@@H](O5)C)OC)[H])(CC[C@]1(C)[C@H](CC2)C=6C=CC(OC6)=O)[H])[H]</smiles> <smiles>O[C@@]12[C@]3([C@@]([C@]4(C)C(CC3)=C[C@H](CC4)O[C@]5([C@H](O)[C@H](O)[C@H]([C@@H](O5)C)OC)[H])(CC[C@]1(C)[C@H](CC2)C=6C=CC(OC6)=O)[H])[H]</smiles> is meproscillarin. Its functional parent is bufanolide . It is also related to or classified as steroid lactone .


The molecule <smiles>C(CO)[NH2+]CCO.[N+](=O)([O-])[O-]</smiles> is an organoammonium salt resulting from the mixing of equimolar amounts of nitric acid and diethanolamine. It has a role as a protic solvent. It is an ionic liquid and an organoammonium salt. It contains a nitrate.


The molecule <smiles>CC(C)CCCCC(=O)N[C@@H](CCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCN)C(=O)N[C@H]1CCNC(=O)[C@@H](NC(=O)[C@H](CCN)NC(=O)[C@H](CCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](CCN)NC1=O)[C@@H](C)O</smiles> <smiles>CC(C)CCCCC(=O)N[C@@H](CCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCN)C(=O)N[C@H]1CCNC(=O)[C@@H](NC(=O)[C@H](CCN)NC(=O)[C@H](CCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](CCN)NC1=O)[C@@H](C)O</smiles> is A polymyxin having a 6-methylheptanoyl group at the amino terminus. It is also related to or classified as peptide antibiotic , polymyxin .


The molecule <smiles>CC(C)N(C[C@H]1[C@@H]([C@H](N1C(=O)C)CO)C2=CC=CC=C2)C(=O)C3=CC=C(C=C3)F</smiles> <smiles>CC(C)N(C[C@H]1[C@@H]([C@H](N1C(=O)C)CO)C2=CC=CC=C2)C(=O)C3=CC=C(C=C3)F</smiles> is N-[[(2R,3S,4S)-1-acetyl-4-(hydroxymethyl)-3-phenyl-2-azetidinyl]methyl]-4-fluoro-N-propan-2-ylbenzamide. It is also related to or classified as benzenes , ring assembly , azetidines .


The molecule <smiles>C[C@H]1CN(C(=O)C2=C(C=CC(=C2)C#N)OCC[C@@H]3CC[C@H]([C@@H](O3)CN(C1=O)C)OC)C</smiles> <smiles>C[C@H]1CN(C(=O)C2=C(C=CC(=C2)C#N)OCC[C@@H]3CC[C@H]([C@@H](O3)CN(C1=O)C)OC)C</smiles> is LSM-40035. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .


The molecule <smiles>[H][C@]12SCC(CSC3=NN=NN3C)=C(N1C(=O)[C@]2(NC(=O)CSC[C@@H]([NH3+])C([O-])=O)OC)C([O-])=O</smiles> <smiles>[H][C@]12SCC(CSC3=NN=NN3C)=C(N1C(=O)[C@]2(NC(=O)CSC[C@@H]([NH3+])C([O-])=O)OC)C([O-])=O</smiles> is A dicarboxylic acid monoanion resulting from the deprotonation of the two carboxy groups and protonation of the primary amino group of cefminox. Major microspecies at pH 7.3. It is also related to or classified as dicarboxylic acid monoanion .


The molecule <smiles>C1C[C@H]([C@H](O[C@@H]1CN)O[C@@H]2[C@H](C[C@H]([C@@H]([C@H]2O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)N)O)N)N)N</smiles> is a kanamycin that is kanamycin B lacking the 3- and 4-hydroxy groups on the 2,6-diaminosugar ring. It has a role as a protein synthesis inhibitor and an antibacterial agent. It derives from a kanamycin B.


The molecule <smiles>NCCC1=CC(=O)C(=O)C=C1</smiles> <smiles>NCCC1=CC(=O)C(=O)C=C1</smiles> is A member of the class of 1,2-benzoquinones that is 1,2-benzoquinone in which a hydrogen at para to one of the oxo groups has been replaced by a 2-aminoethyl group. It has the role of metabolite . Its functional parent is 1,2-benzoquinone . It is also related to or classified as 1,2-benzoquinones  . It is also related to or classified as primary amino compound .


The molecule <smiles>C[C@@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC3=CC=CC=C3)[C@H](C)CO)C)CN(C)C(=O)NC4=CC=CC=C4</smiles> <smiles>C[C@@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC3=CC=CC=C3)[C@H](C)CO)C)CN(C)C(=O)NC4=CC=CC=C4</smiles> is 1-[[(3R,9R,10S)-16-[[anilino(oxo)methyl]amino]-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-1-methyl-3-phenylurea. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .


The molecule <smiles>N1(CCC=2C1=CC=CC2)C3=NC=NC=4N(N=CC34)C5=CC=CC=C5</smiles> <smiles>N1(CCC=2C1=CC=CC2)C3=NC=NC=4N(N=CC34)C5=CC=CC=C5</smiles> is 4-(2,3-dihydro-1H-indol-1-yl)-1-phenyl-1H-pyrazolo[3,4-d]pyrimidine. It is also related to or classified as aromatic amine , tertiary amino compound .


The molecule <smiles>C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@H]2[C@H](OC([C@@H]([C@H]2O[C@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O)CO)O)O)O)O</smiles> is a trisaccharide that is D-galactomannose in which the hydroxy groups at positions 3 and 4 have been converted into the corresponding beta-D-mannopyranosyl and beta-D-glucopyranosyl derivatives, respectively.


The molecule <smiles>N[C@@H](Cc1c[nH]c2c(Cl)cccc12)C(O)=O</smiles> <smiles>N[C@@H](Cc1c[nH]c2c(Cl)cccc12)C(O)=O</smiles> is an L-tryptophan derivative having a chloro substituent at the 7-position.  It is also related to or classified as 7-chlorotryptophan  . It is also related to or classified as L-tryptophan derivative , non-proteinogenic L-alpha-amino acid .


The molecule <smiles>S1C(C(C)(C)C)=CC=2N=CN=C(NNC(=O)C3=CC=C(C=C3)C)C12</smiles> <smiles>S1C(C(C)(C)C)=CC=2N=CN=C(NNC(=O)C3=CC=C(C=C3)C)C12</smiles> is N'-[6-(tert-butyl)thieno[3,2-d]pyrimidin-4-yl]-4-methylbenzohydrazide. It is also related to or classified as organic heterobicyclic compound , organonitrogen heterocyclic compound , organosulfur heterocyclic compound .


The molecule <smiles>N(C(CSC[C@H](C(O)=O)N)=O)[C@@]1(OC)[C@@]2(N(C1=O)C(C(O)=O)=C(CS2)CSC=3N(C)N=NN3)[H]</smiles> <smiles>N(C(CSC[C@H](C(O)=O)N)=O)[C@@]1(OC)[C@@]2(N(C1=O)C(C(O)=O)=C(CS2)CSC=3N(C)N=NN3)[H]</smiles> is A second-generation cephamycin antibiotic having [(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl and 2-{[(2S)-2-amino-2-carboxyethyl]sulfanyl}acetamido side-groups located respectively at positions 3 and 7beta of the cephem nucleus. A broad-spectrum bactericide, it is especially effective against Gram-negative and anaerobic bacteria. It is a conjugate acid of cefminox(1-) .  It is also related to or classified as cephamycin  . It is also related to or classified as tetrazoles .


The molecule <smiles>C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O)O)OC[C@@H]3[C@H]([C@@H]([C@H]([C@@H](O3)O)O)O)O)CO)O)O)O)O</smiles> is a glucotriose consisting of three molecules of beta-D-glucopyranose joined in a linear sequence by (1->4) and (1->6) glycosidic linkages.


The molecule <smiles>COC1=C2C(=C(C3=C1OC=C3)[O-])C=CC(=O)O2</smiles> is a phenolate anion that is the conjugate base of 5-hydroxyxanthotoxin, obtained by deprotonation of the hydroxy group. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.). It is a conjugate base of a 5-hydroxyxanthotoxin.


The molecule <smiles>CC1C2=N[C@@](CC3=N/C(=C(\\C4=N[C@@]([C@H]5[C@@H]([C@@](C1=N5)(C)CCC(=O)O)CC(=O)O)([C@@]([C@@H]4CCC(=O)O)(C)CC(=O)O)C)/C)/[C@@]([C@@H]3CCC(=O)O)(C)CC(=O)O)(C(=C2CCC(=O)O)C)C</smiles> is the intermediate in the biosynthesis of vitamin B12 from uroporphyrinogen III in which eight methyl groups have been introduced into the tetrapyrrole framework, together with ring contraction and decarboxylation. It is a conjugate acid of a precorrin-8X(7-).


The molecule <smiles>N(C(CSC(F)F)=O)[C@@]1(OC)[C@@]2(N(C1=O)C(=C(CO2)CSC=3N(CCO)N=NN3)C(=O)O)[H]</smiles> <smiles>N(C(CSC(F)F)=O)[C@@]1(OC)[C@@]2(N(C1=O)C(=C(CO2)CSC=3N(CCO)N=NN3)C(=O)O)[H]</smiles> is A second-generation oxacephem antibiotic in which the oxazine ring is substituted at C-3 with a hydroxyethyl-substituted tetrazolylthiomethyl group and the azetidinone ring carries 7alpha-methoxy and 7beta-{2-[(difluoromethyl)thiomethyl]acetamido} substituents. It has the role of antibacterial drug .  It is also related to or classified as oxacephem  . It is also related to or classified as N-acyl-amino acid , organonitrogen heterocyclic antibiotic .


The molecule <smiles>CC(=O)[C@H]([C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)O</smiles> is a sedoheptulose derivative and a ketoheptose phosphate. It derives from a sedoheptulose. It is a conjugate acid of a 1-deoxy-D-altro-heptulose 7-phosphate(2-).


The molecule <smiles>C1CC(C1)C(=O)NC[C@H]2[C@@H]([C@@H](N2C(=O)CC3=CC=NC=C3)CO)C4=CC=CC=C4</smiles> <smiles>C1CC(C1)C(=O)NC[C@H]2[C@@H]([C@@H](N2C(=O)CC3=CC=NC=C3)CO)C4=CC=CC=C4</smiles> is N-[[(2R,3S,4R)-4-(hydroxymethyl)-1-(1-oxo-2-pyridin-4-ylethyl)-3-phenyl-2-azetidinyl]methyl]cyclobutanecarboxamide. It is also related to or classified as benzenes , ring assembly , azetidines .


The molecule <smiles>OC(CNC(=O)C1=CC=CC=C1)CC(O)=O</smiles> <smiles>OC(CNC(=O)C1=CC=CC=C1)CC(O)=O</smiles> is 4-(benzoylamino)-3-hydroxybutanoic acid. Its functional parent is gamma-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .


The molecule <smiles>CCCCCCCC\C=C\CCCCCCCCCCCC(N)=O</smiles> <smiles>CCCCCCCC\C=C\CCCCCCCCCCCC(N)=O</smiles> is A 13-docosenamide in which the double bond adopts an (E)-configuration. It has the role of plant metabolite . It has the role of human metabolite . It is also related to or classified as 13-docosenamide  .