The molecule <smiles>C[C@@H]1O[C@@H](OCCCCCCCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2OP(O)(O)=O)N3C=NC4=C(N)N=CN=C34)[C@H](O)C[C@H]1O</smiles> <smiles>C[C@@H]1O[C@@H](OCCCCCCCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2OP(O)(O)=O)N3C=NC4=C(N)N=CN=C34)[C@H](O)C[C@H]1O</smiles> is coA ester of bkos#22. It is also related to or classified as organic molecular entity .


The molecule <smiles>O([C@@H]1[C@@]([C@@]2([C@](C3[C@@](CC2)([C@@]4(C(=CC3O)C(C(O[C@@H]5OC[C@@H](O)[C@H](O)[C@H]5O)CC4)(C)C)[H])C)(C1)C)C)([C@@H](CCC=C(C)C)C)[H])[C@@H]6O[C@@H]([C@@H](O)[C@@H](O)[C@H]6O)CO</smiles> <smiles>O([C@@H]1[C@@]([C@@]2([C@](C3[C@@](CC2)([C@@]4(C(=CC3O)C(C(O[C@@H]5OC[C@@H](O)[C@H](O)[C@H]5O)CC4)(C)C)[H])C)(C1)C)C)([C@@H](CCC=C(C)C)C)[H])[C@@H]6O[C@@H]([C@@H](O)[C@@H](O)[C@H]6O)CO</smiles> is Hebevinoside VI.  It is also related to or classified as glycoside  . It is also related to or classified as cucurbitacin .


The molecule <smiles>CCCCC\C=C/C\C=C/C=C/C=C/[C@@H](SC[C@H](NC(=O)CC[C@H]([NH3+])C([O-])=O)C(=O)NCC([O-])=O)[C@@H](O)CCCC([O-])=O</smiles> <smiles>CCCCC\C=C/C\C=C/C=C/C=C/[C@@H](SC[C@H](NC(=O)CC[C@H]([NH3+])C([O-])=O)C(=O)NCC([O-])=O)[C@@H](O)CCCC([O-])=O</smiles> is the leukotriene anion that is the dianion of leukotriene C4 arising from deprotonation of the three carboxy groups and protonation of the glutamyl alpha-amino group. It has the role of human metabolite . It is also related to or classified as peptide anion , leukotriene anion .


The molecule <smiles>S1C(=NC(=C1)/C=C(/[C@@H](OC)CC(=O)O)\C)C</smiles> <smiles>S1C(=NC(=C1)/C=C(/[C@@H](OC)CC(=O)O)\C)C</smiles> is Methoxycarboxylic acid 42. It is also related to or classified as medium-chain fatty acid  .


The molecule <smiles>C[C@@H]1O[C@@H](OCCCCCCCCCCC(=O)CC([O-])=O)[C@H](O)C[C@H]1O</smiles> <smiles>C[C@@H]1O[C@@H](OCCCCCCCCCCC(=O)CC([O-])=O)[C@H](O)C[C@H]1O</smiles> is conjugate base of bkos#22. It is also related to or classified as organic molecular entity .


The molecule <smiles>N[C@@H](Cc1ccc([O-])cc1)C([O-])=O</smiles> <smiles>N[C@@H](Cc1ccc([O-])cc1)C([O-])=O</smiles> is the L-enantiomer of tyrosinate(2-). It has the role of fundamental metabolite . It is also related to or classified as tyrosinate(2-)  .


The molecule <smiles>O=C(O)CCCCCC1=C(C=CC=C1)/C=C/C(=O)C</smiles> <smiles>O=C(O)CCCCCC1=C(C=CC=C1)/C=C/C(=O)C</smiles> is Lahorenoic acid A. Its functional parent is cinnamic acid . It is also related to or classified as olefinic compound .


The molecule <smiles>C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@@]2(O)C#C</smiles> <smiles>C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@@]2(O)C#C</smiles> is A 17beta-hydroxy steroid that is testosterone in which the 17beta hydrogen is replaced by an ethynyl group. Ethisterone was the first orally active progestin and is a metabolite of danazol. It has the role of drug metabolite . It has the role of progestin . Its functional parent is testosterone . It is also related to or classified as tertiary alcohol  . It is also related to or classified as 17beta-hydroxy steroid  . It is also related to or classified as 3-oxo-Delta(4) steroid  . It is also related to or classified as terminal acetylenic compound  .


The molecule <smiles>C[C@@H]1O[C@@H](OCCCCCCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2OP([O-])([O-])=O)N3C=NC4=C(N)N=CN=C34)[C@H](O)C[C@H]1O</smiles> <smiles>C[C@@H]1O[C@@H](OCCCCCCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2OP([O-])([O-])=O)N3C=NC4=C(N)N=CN=C34)[C@H](O)C[C@H]1O</smiles> is conjugate base of bkos#20-CoA. It is also related to or classified as organic molecular entity .


The molecule <smiles>COc1ccc2c(c[n+](C)c3c4cc5OCOc5cc4ccc23)c1OC</smiles> <smiles>COc1ccc2c(c[n+](C)c3c4cc5OCOc5cc4ccc23)c1OC</smiles> is A benzophenanthridine alkaloid isolated from the root of Zanthoxylum simulans, Chelidonium majus L., and other Papaveraceae. It has the role of antibacterial agent . It has the role of antineoplastic agent . It has the role of EC 2.7.11.13 (protein kinase C) inhibitor . It is also related to or classified as organic cation , benzophenanthridine alkaloid .


The molecule <smiles>O1C([C@H]2O[C@@H]3[C@@]4([C@@]5(O)[C@]([C@]6(C=7NC=8C=C(CC(O)C(O)(C)C)C=CC8C7C[C@@H]6CC5)C)(C)CC3)[C@@H]([C@@H]2O[C@@H]1C(O)C(O)(C)C)O4)(C)C</smiles> <smiles>O1C([C@H]2O[C@@H]3[C@@]4([C@@]5(O)[C@]([C@]6(C=7NC=8C=C(CC(O)C(O)(C)C)C=CC8C7C[C@@H]6CC5)C)(C)CC3)[C@@H]([C@@H]2O[C@@H]1C(O)C(O)(C)C)O4)(C)C</smiles> is TC-705A. It is also related to or classified as organic heterotricyclic compound , organooxygen compound .


The molecule <smiles>C[C@@H]1O[C@@H](OCCCCCCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2OP(O)(O)=O)N3C=NC4=C(N)N=CN=C34)[C@H](O)C[C@H]1O</smiles> <smiles>C[C@@H]1O[C@@H](OCCCCCCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2OP(O)(O)=O)N3C=NC4=C(N)N=CN=C34)[C@H](O)C[C@H]1O</smiles> is coA ester of bkos#20. It is also related to or classified as organic molecular entity .


The molecule <smiles>[H][C@]12[C@@H](O)Cc3cc4OCOc4cc3[C@@]1([H])N(C)Cc1c3OCOc3ccc21</smiles> <smiles>[H][C@]12[C@@H](O)Cc3cc4OCOc4cc3[C@@]1([H])N(C)Cc1c3OCOc3ccc21</smiles> is chelidonine. It is also related to or classified as alkaloid fundamental parent , benzophenanthridine alkaloid , alkaloid antibiotic .


The molecule <smiles>O(C(C(OC(=O)CC(CC(O)=O)C(O)=O)C(CCCC)C)CC(CCCCCCC(O)CC(O)C([N+]=1C=C(O)C=CC1)C)C)C(=O)CC(CC(O)=O)C(O)=O</smiles> <smiles>O(C(C(OC(=O)CC(CC(O)=O)C(O)=O)C(CCCC)C)CC(CCCCCCC(O)CC(O)C([N+]=1C=C(O)C=CC1)C)C)C(=O)CC(CC(O)=O)C(O)=O</smiles> is Fumonisin FP2. Its functional parent is pentacarboxylic acid . It is also related to or classified as organooxygen compound .


The molecule <smiles>O=C1NC(=CC=2C1=C(O)C=3C4=C(O)C=5C(=O)C6=C(C(O)=C(OC)C=C6O)C(C5C(=C4CCC3C2)O)=O)/C=C/C=C/C</smiles> <smiles>O=C1NC(=CC=2C1=C(O)C=3C4=C(O)C=5C(=O)C6=C(C(O)=C(OC)C=C6O)C(C5C(=C4CCC3C2)O)=O)/C=C/C=C/C</smiles> is Fredericamycin B. It is also related to or classified as quinone  . It is also related to or classified as tetracenes .


The molecule <smiles>CCCCCCCCCCCCCCCC(=O)OCCCCCCCCCCCC</smiles> <smiles>CCCCCCCCCCCCCCCC(=O)OCCCCCCCCCCCC</smiles> is A palmitate ester resulting from the formal condensation of palmitic acid with dodecan-1-ol. It is A wax ester synthesised by retinal pigment epithelial membranes. It has the role of metabolite . Its functional parent is dodecan-1-ol . It is also related to or classified as wax ester  . It is also related to or classified as hexadecanoate ester  .


The molecule <smiles>C[C@@H]1O[C@@H](OCCCCCCCCCC(=O)CC([O-])=O)[C@H](O)C[C@H]1O</smiles> <smiles>C[C@@H]1O[C@@H](OCCCCCCCCCC(=O)CC([O-])=O)[C@H](O)C[C@H]1O</smiles> is conjugate base of bkos#20. It is also related to or classified as organic molecular entity .


The molecule <smiles>C[C@H]([NH3+])C([O-])=O</smiles> <smiles>C[C@H]([NH3+])C([O-])=O</smiles> is zwitterionic form of L-alanine arising from transfer of a proton from the carboxy to the amino group; major species at pH 7.3. It is also related to or classified as alanine zwitterion  .


The molecule <smiles>O=C(O)CCCCCCCC1=C(C=C(C)C=C1)CC=C</smiles> <smiles>O=C(O)CCCCCCCC1=C(C=C(C)C=C1)CC=C</smiles> is Solwaric acid A. It is also related to or classified as medium-chain fatty acid  .


The molecule <smiles>C[C@@H]1O[C@@H](OCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2OP([O-])([O-])=O)N3C=NC4=C(N)N=CN=C34)[C@H](O)C[C@H]1O</smiles> <smiles>C[C@@H]1O[C@@H](OCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2OP([O-])([O-])=O)N3C=NC4=C(N)N=CN=C34)[C@H](O)C[C@H]1O</smiles> is conjugate base of bkos#1-CoA. It is also related to or classified as organic molecular entity .


The molecule <smiles>C[C@H](C[NH+]1CCCC1)C(=O)C1=CC=C(C=C1)C(F)(F)F</smiles> <smiles>C[C@H](C[NH+]1CCCC1)C(=O)C1=CC=C(C=C1)C(F)(F)F</smiles> is A tertiary ammonium ion that is the conjugate acid of lanperisone resulting from the protonation of the pyrrolidine nitrogen. Major microspecies at pH 7.3. It is a conjugate acid of lanperisone . It is also related to or classified as tertiary ammonium ion  .


The molecule <smiles>O=C1OC[C@@H]2C=C[C@H]3[C@H]([C@@]2([C@]1(O)CO)C)CC[C@H](C3)C</smiles> <smiles>O=C1OC[C@@H]2C=C[C@H]3[C@H]([C@@]2([C@]1(O)CO)C)CC[C@H](C3)C</smiles> is Oblongolide W2. It is also related to or classified as organic heterotricyclic compound , organooxygen compound .


The molecule <smiles>C[C@@H]1O[C@@H](OCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2OP(O)(O)=O)N3C=NC4=C(N)N=CN=C34)[C@H](O)C[C@H]1O</smiles> <smiles>C[C@@H]1O[C@@H](OCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2OP(O)(O)=O)N3C=NC4=C(N)N=CN=C34)[C@H](O)C[C@H]1O</smiles> is coA ester of bkos#1. It is also related to or classified as organic molecular entity .


The molecule <smiles>CC(Oc1cc(Cl)c(Cl)cc1Cl)C(O)=O</smiles> <smiles>CC(Oc1cc(Cl)c(Cl)cc1Cl)C(O)=O</smiles> is Fenoprop. It has the role of phenoxy herbicide . It is also related to or classified as monocarboxylic acid .


The molecule <smiles>Oc1ccc(cc1)-c1cc(=O)c2ccc(O)cc2o1</smiles> <smiles>Oc1ccc(cc1)-c1cc(=O)c2ccc(O)cc2o1</smiles> is A dihydroxyflavone in which the two hydroxy substituents are located at positions 4' and 7. It has the role of metabolite . It is also related to or classified as dihydroxyflavone .


The molecule <smiles>COc1ccc(cc1O)-c1cc(=O)c2c(O)c(OC)c(O)c(OC)c2o1</smiles> <smiles>COc1ccc(cc1O)-c1cc(=O)c2c(O)c(OC)c(O)c(OC)c2o1</smiles> is A trihydroxyflavone that is 5,7,3'-trihydroxyflavone with methoxy substituents at positions 6, 8 and 4' respectively. It has the role of metabolite . It is also related to or classified as trihydroxyflavone , trimethoxyflavone .


The molecule <smiles>O=C1O[C@@]23C(=O)N[C@H]([C@@H]2[C@H](C)C(=C[C@@H]3C=C(CCC[C@@H](C=C1)O)C)C)CC(C)C</smiles> <smiles>O=C1O[C@@]23C(=O)N[C@H]([C@@H]2[C@H](C)C(=C[C@@H]3C=C(CCC[C@@H](C=C1)O)C)C)CC(C)C</smiles> is Aspochalasin J. It has the role of fungal metabolite . It is also related to or classified as cytochalasin .


The molecule <smiles>CO[C@H]1CC=C2CCN3CCC4=C(CC(=O)OC4)[C@]23C1</smiles> <smiles>CO[C@H]1CC=C2CCN3CCC4=C(CC(=O)OC4)[C@]23C1</smiles> is an organic heterotetracyclic compound resulting from the partial hydrogenation of the 1,3-diene moiety of beta-erythroidine to give the corresponding 2-ene. It has the role of nicotinic antagonist . Its functional parent is beta-erythroidine . It is also related to or classified as delta-lactone  . It is also related to or classified as organic heterotetracyclic compound , tertiary amino compound .


The molecule <smiles>C[C@@H]1O[C@@H](OCCCCCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2OP([O-])([O-])=O)N3C=NC4=C(N)N=CN=C34)[C@H](O)C[C@H]1O</smiles> <smiles>C[C@@H]1O[C@@H](OCCCCCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2OP([O-])([O-])=O)N3C=NC4=C(N)N=CN=C34)[C@H](O)C[C@H]1O</smiles> is conjugate base of bkos#18-CoA. It is also related to or classified as organic molecular entity .


The molecule <smiles>OC(=O)C1=CC=C(CN2CCC(CN[C@@H]3C[C@H]3C3=CC=CC=C3)CC2)C=C1</smiles> <smiles>OC(=O)C1=CC=C(CN2CCC(CN[C@@H]3C[C@H]3C3=CC=CC=C3)CC2)C=C1</smiles> is A member of the class of piperidines that is piperidine substituted by (4-carboxyphenyl)methyl and {[(1R,2S)-2-phenylcyclopropyl]amino}methyl groups at positions 1 and 4, respectively. It is a potent and irreversible inhibitor of lysine specific demethylase 1 (LSD1, also known as KDM1A). It was under clinical investigation for the treatment of acute myeloid leukaemia and small cell lung carcinoma. It has the role of EC 1.14.99.66 (lysine-specific histone demethylase 1A) inhibitor . It has the role of antineoplastic agent . It is also related to or classified as benzoic acids , monocarboxylic acid , piperidines , secondary amino compound , tertiary amino compound , cyclopropanes , benzenes .


The molecule <smiles>C1=CC(C([C@]2([C@]1([C@@]3([C@@]([C@@H](C2)OC(C)=O)(C=4[C@@](CC3)([C@@](CC4)(C(CO)C[C@H]([C@H]5C(C)(C)O5)O)[H])C)C)[H])C)[H])(C)C)=O</smiles> <smiles>C1=CC(C([C@]2([C@]1([C@@]3([C@@]([C@@H](C2)OC(C)=O)(C=4[C@@](CC3)([C@@](CC4)(C(CO)C[C@H]([C@H]5C(C)(C)O5)O)[H])C)C)[H])C)[H])(C)C)=O</smiles> is (1S,3bR,4R,5aR,9aR,9bR,11aS)-1-[(4R)-5-[(2S)-3,3-dimethyloxiran-2-yl]-1,4-dihydroxybutan-2-yl]-3b,6,6,9a,11a-pentamethyl-7-oxo-1H,2H,3bH,4H,5H,5aH,6H,7H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-4-yl acetate.  It is also related to or classified as epoxide  .  It is also related to or classified as acetate ester  . It is also related to or classified as tetracyclic triterpenoid , organic heteropentacyclic compound .


The molecule <smiles>O=C1C(C2=C(O)C=C(O)C=3C2=CC=4O[C@@H](C)CC(C4C3O)=O)=C5C(=C(O)C6=C(O)C(C)=C(OC6=C5)C)C(=C1)O</smiles> <smiles>O=C1C(C2=C(O)C=C(O)C=3C2=CC=4O[C@@H](C)CC(C4C3O)=O)=C5C(=C(O)C6=C(O)C(C)=C(OC6=C5)C)C(=C1)O</smiles> is Ustilaginoidin O. It is also related to or classified as organic heterotricyclic compound , organooxygen compound .


The molecule <smiles>C[C@@H]1O[C@@H](OCCCCCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2OP(O)(O)=O)N3C=NC4=C(N)N=CN=C34)[C@H](O)C[C@H]1O</smiles> <smiles>C[C@@H]1O[C@@H](OCCCCCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2OP(O)(O)=O)N3C=NC4=C(N)N=CN=C34)[C@H](O)C[C@H]1O</smiles> is coA ester of bkos#18. It is also related to or classified as organic molecular entity .


The molecule <smiles>Cc1cc(O)ccc1[N+]([O-])=O</smiles> <smiles>Cc1cc(O)ccc1[N+]([O-])=O</smiles> is A C-nitro compound in which the nitro group is attached at C-4 of m-cresol. Its functional parent is m-cresol . It is also related to or classified as 4-nitrophenols .


The molecule <smiles>CC(CN1CCCC1)C(=O)C1=CC=C(C=C1)C(F)(F)F</smiles> <smiles>CC(CN1CCCC1)C(=O)C1=CC=C(C=C1)C(F)(F)F</smiles> is an aromatic ketone that is (trifluoromethyl)benzene in which the hydrogen at position 4 is replaced by a 2-methyl-3-(pyrrolidin-1-yl)propanoyl group. It is also related to or classified as pyrrolidines , tertiary amino compound , aromatic ketone , (trifluoromethyl)benzenes .


The molecule <smiles>O=C1C2=C(C(O)=CC=C2)C(=O)[C@@H]3[C@]1([C@H]4OC(=O)C[C@H]4O[C@]35O[C@H](CC([C@@H]5O)=O)C)CC(=O)C</smiles> <smiles>O=C1C2=C(C(O)=CC=C2)C(=O)[C@@H]3[C@]1([C@H]4OC(=O)C[C@H]4O[C@]35O[C@H](CC([C@@H]5O)=O)C)CC(=O)C</smiles> is Griseusin G. It is also related to or classified as organic heterotricyclic compound , organooxygen compound .


The molecule <smiles>C[C@@H]1O[C@@H](OCCCCCCCCC(=O)CC([O-])=O)[C@H](O)C[C@H]1O</smiles> <smiles>C[C@@H]1O[C@@H](OCCCCCCCCC(=O)CC([O-])=O)[C@H](O)C[C@H]1O</smiles> is conjugate base of bkos#18. It is also related to or classified as organic molecular entity .


The molecule <smiles>CC(=C)C1CCC(C(=O)C1)C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12</smiles> <smiles>CC(=C)C1CCC(C(=O)C1)C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12</smiles> is A 3-oxoacyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of 4-isopropenyl-2-oxocyclohexane-1-carboxylic acid. It has the role of mouse metabolite . Its functional parent is cyclohexane-1-carbonyl-CoA . It is also related to or classified as 3-oxo-fatty acyl-CoA  . It is also related to or classified as acyl-CoA  .


The molecule <smiles>C[C@H]([NH3+])C(O)=O</smiles> <smiles>C[C@H]([NH3+])C(O)=O</smiles> is the L-enantiomer of alaninium. It has the role of fundamental metabolite . It is a conjugate acid of L-alanine . It is also related to or classified as alaninium  .


The molecule <smiles>O=C1C(=C(OC)C2=C(O)C3=C(O)C=C(OC3=CC2=C1)C)C4=C5O[C@](O)(CC(C5=C(O)C=6C4=CC(OC)=CC6OC)=O)C</smiles> <smiles>O=C1C(=C(OC)C2=C(O)C3=C(O)C=C(OC3=CC2=C1)C)C4=C5O[C@](O)(CC(C5=C(O)C=6C4=CC(OC)=CC6OC)=O)C</smiles> is Nigerasperone C. It is also related to or classified as organic heterotricyclic compound , organooxygen compound .


The molecule <smiles>CC(C)OC(=O)CCCCC(=O)OC(C)C</smiles> <smiles>CC(C)OC(=O)CCCCC(=O)OC(C)C</smiles> is Diisopropyl adipate. It is also related to or classified as isopropyl ester  . It is also related to or classified as fatty acid ester  .


The molecule <smiles>C[C@@H]1O[C@@H](OCCCCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2OP([O-])([O-])=O)N3C=NC4=C(N)N=CN=C34)[C@H](O)C[C@H]1O</smiles> <smiles>C[C@@H]1O[C@@H](OCCCCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2OP([O-])([O-])=O)N3C=NC4=C(N)N=CN=C34)[C@H](O)C[C@H]1O</smiles> is conjugate base of bkos#16-CoA. It is also related to or classified as organic molecular entity .


The molecule <smiles>CC(C)CCCCCOC(=O)c1ccccc1C(=O)OCCCCCC(C)C</smiles> <smiles>CC(C)CCCCCOC(=O)c1ccccc1C(=O)OCCCCCC(C)C</smiles> is Diisooctyl phthalate.  It is also related to or classified as diester  . It is also related to or classified as phthalate ester .


The molecule <smiles>S1SC[C@H]2N(C[C@@H]3N([C@@H]([C@H]4N=C(C5=C(O)C=CC=C5)OC4)SC3)C)C([C@@H](C1)N(C[C@@H]6N([C@H]([C@H]7N=C(C8=C(O)C=CC=C8)OC7)SC6)C)C2=O)=O</smiles> <smiles>S1SC[C@H]2N(C[C@@H]3N([C@@H]([C@H]4N=C(C5=C(O)C=CC=C5)OC4)SC3)C)C([C@@H](C1)N(C[C@@H]6N([C@H]([C@H]7N=C(C8=C(O)C=CC=C8)OC7)SC6)C)C2=O)=O</smiles> is Tetroazolemycin B. Its functional parent is alpha-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .


The molecule <smiles>COP(=S)(OC)Oc1ccc(c(C)c1)[N+]([O-])=O</smiles> <smiles>COP(=S)(OC)Oc1ccc(c(C)c1)[N+]([O-])=O</smiles> is an organic thiophosphate that is O,O-dimethyl O-phenyl phosphorothioate substituted by a methyl group at position 3 and a nitro group at position 4. It has the role of acaricide . It has the role of insecticide . It has the role of agrochemical . It has the role of EC 3.1.1.8 (cholinesterase) inhibitor . It has the role of EC 3.1.1.7 (acetylcholinesterase) inhibitor . Its functional parent is 4-nitro-m-cresol . It is also related to or classified as C-nitro compound , organic thiophosphate .


The molecule <smiles>C[C@@H]1O[C@@H](OCCCCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2OP(O)(O)=O)N3C=NC4=C(N)N=CN=C34)[C@H](O)C[C@H]1O</smiles> <smiles>C[C@@H]1O[C@@H](OCCCCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2OP(O)(O)=O)N3C=NC4=C(N)N=CN=C34)[C@H](O)C[C@H]1O</smiles> is coA ester of bkos#16. It is also related to or classified as organic molecular entity .


The molecule <smiles>CC(C)=CCC\C(C)=C/CC[C@@](C)(O)C=C</smiles> <smiles>CC(C)=CCC\C(C)=C/CC[C@@](C)(O)C=C</smiles> is A (6Z)-nerolidol in which the hydroxy group at positon 3 adopts an R-configuration. It is also related to or classified as (6Z)-nerolidol  .


The molecule <smiles>C[C@H](O)C(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=NC2=C1N=CN=C2N</smiles> <smiles>C[C@H](O)C(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=NC2=C1N=CN=C2N</smiles> is major microspecies at pH 7.3. Its functional parent is adenosine 5'-monophosphate . Its functional parent is (S)-lactate . It is also related to or classified as organophosphate oxoanion .


The molecule <smiles>CCC=CCC=O</smiles> <smiles>CCC=CCC=O</smiles> is A hexenal carrying an unsaturation at position 3. It is also related to or classified as hexenal .


The molecule <smiles>C[C@@H]1O[C@@H](OCCCCCCCC(=O)CC([O-])=O)[C@H](O)C[C@H]1O</smiles> <smiles>C[C@@H]1O[C@@H](OCCCCCCCC(=O)CC([O-])=O)[C@H](O)C[C@H]1O</smiles> is conjugate base of bkos#16. It is also related to or classified as organic molecular entity .


The molecule <smiles>O(C(C(OC(=O)CC(CC(O)=O)C(O)=O)C(CCCC)C)CC(CC(O)CCCCCCC(O)C([N+]=1C=C(O)C=CC1)C)C)C(=O)CC(CC(O)=O)C(O)=O</smiles> <smiles>O(C(C(OC(=O)CC(CC(O)=O)C(O)=O)C(CCCC)C)CC(CC(O)CCCCCCC(O)C([N+]=1C=C(O)C=CC1)C)C)C(=O)CC(CC(O)=O)C(O)=O</smiles> is Fumonisin FP3. Its functional parent is pentacarboxylic acid . It is also related to or classified as organooxygen compound .


The molecule <smiles>O=C(OC)C1=C(C=C(CCC)N=C1)/C=C(/C(=O)C)\CC(=O)CCCCCCC</smiles> <smiles>O=C(OC)C1=C(C=C(CCC)N=C1)/C=C(/C(=O)C)\CC(=O)CCCCCCC</smiles> is methyl 4-[(E)-2-acetyl-4-oxoundec-1-enyl]-6-propylnicotinate. It is also related to or classified as pyridines , aromatic carboxylic acid .


The molecule <smiles>C[C@@H]1O[C@@H](OCCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2OP([O-])([O-])=O)N3C=NC4=C(N)N=CN=C34)[C@H](O)C[C@H]1O</smiles> <smiles>C[C@@H]1O[C@@H](OCCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2OP([O-])([O-])=O)N3C=NC4=C(N)N=CN=C34)[C@H](O)C[C@H]1O</smiles> is conjugate base of bkos#14-CoA. It is also related to or classified as organic molecular entity .


The molecule <smiles>CS(=O)c1ccc(O)cc1</smiles> <smiles>CS(=O)c1ccc(O)cc1</smiles> is 4-(methylsulfinyl)phenol. It is also related to or classified as sulfoxide  . It is also related to or classified as phenols  .


The molecule <smiles>CC(C)=CCC\C(C)=C/CC[C@](C)(O)C=C</smiles> <smiles>CC(C)=CCC\C(C)=C/CC[C@](C)(O)C=C</smiles> is A (6Z)-nerolidol in which the hydroxy group at positon 3 adopts an S-configuration. It is also related to or classified as (6Z)-nerolidol  .


The molecule <smiles>O=C1N(O)[C@H](C(=O)N[C@H]1C)CC=2C3=C(C(=CC=C3)CC=C(C)C)NC2</smiles> <smiles>O=C1N(O)[C@H](C(=O)N[C@H]1C)CC=2C3=C(C(=CC=C3)CC=C(C)C)NC2</smiles> is 14-hydroxyterezine D. Its functional parent is alpha-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .


The molecule <smiles>Clc1cccc(-c2c[nH]cc2C#N)c1Cl</smiles> <smiles>Clc1cccc(-c2c[nH]cc2C#N)c1Cl</smiles> is A member of the class of pyrroles carrying cyano and 2,3-dichlorophenyl substituents at positions 3 and 4 respectively. A fungicide used mainly to control seed-borne pathogens in cereal crops. It has the role of antifungal agrochemical . It is also related to or classified as nitrile  . It is also related to or classified as dichlorobenzene  . It is also related to or classified as pyrroles .


The molecule <smiles>C[C@@H]1O[C@@H](OCCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2OP(O)(O)=O)N3C=NC4=C(N)N=CN=C34)[C@H](O)C[C@H]1O</smiles> <smiles>C[C@@H]1O[C@@H](OCCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2OP(O)(O)=O)N3C=NC4=C(N)N=CN=C34)[C@H](O)C[C@H]1O</smiles> is coA ester of bkos#14. It is also related to or classified as organic molecular entity .


The molecule <smiles>CCOP(=S)(OCC)Oc1ccc(cc1)S(C)=O</smiles> <smiles>CCOP(=S)(OCC)Oc1ccc(cc1)S(C)=O</smiles> is fensulfothion. It has the role of nematicide . It has the role of agrochemical . It has the role of avicide . It has the role of EC 3.1.1.7 (acetylcholinesterase) inhibitor . Its functional parent is 4-(methylsulfinyl)phenol . It is also related to or classified as sulfoxide  . It is also related to or classified as organothiophosphate insecticide , organic thiophosphate .


The molecule <smiles>C[NH2+][C@H]1C[C@@H]([NH3+])[C@H](O)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@@H]3O[C@@]4(O[C@H](C([NH3+])CO)[C@H](O)[C@H](O)[C@H]4O)O[C@H]23)[C@@H]1O</smiles> <smiles>C[NH2+][C@H]1C[C@@H]([NH3+])[C@H](O)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@@H]3O[C@@]4(O[C@H](C([NH3+])CO)[C@H](O)[C@H](O)[C@H]4O)O[C@H]23)[C@@H]1O</smiles> is an ammonium ion that is the trication of hygromycin B arising from protonation of the three amino groups; major species at pH 7.3. It is a conjugate acid of hygromycin B . It is also related to or classified as ammonium ion derivative .


The molecule <smiles>O=C1O[C@@H](C(=O)N(CC(=O)NC2=C(C(NC3=C1C=CC=C3)=O)C=CC=C2)C)CC4=CC=CC=C4</smiles> <smiles>O=C1O[C@@H](C(=O)N(CC(=O)NC2=C(C(NC3=C1C=CC=C3)=O)C=CC=C2)C)CC4=CC=CC=C4</smiles> is Clavatustide B. It is also related to or classified as lactam  . It is also related to or classified as macrolide  .


The molecule <smiles>C[C@@H]1O[C@@H](OCCCCCC(=O)CC([O-])=O)[C@H](O)C[C@H]1O</smiles> <smiles>C[C@@H]1O[C@@H](OCCCCCC(=O)CC([O-])=O)[C@H](O)C[C@H]1O</smiles> is conjugate base of bkos#14. It is also related to or classified as organic molecular entity .


The molecule <smiles>C1=CC(C([C@]2([C@]1([C@@]3([C@@]([C@@H](C2)OC(C)=O)(C=4[C@@](CC3)([C@@](CC4)([C@@H]5C[C@@H](O[C@H]5OC(C)=O)[C@H]6C(C)(C)O6)[H])C)C)[H])C)[H])(C)C)=O</smiles> <smiles>C1=CC(C([C@]2([C@]1([C@@]3([C@@]([C@@H](C2)OC(C)=O)(C=4[C@@](CC3)([C@@](CC4)([C@@H]5C[C@@H](O[C@H]5OC(C)=O)[C@H]6C(C)(C)O6)[H])C)C)[H])C)[H])(C)C)=O</smiles> is 7-acetyl-epi-neemfruitin B.  It is also related to or classified as epoxide  . It is also related to or classified as acetate ester  . It is also related to or classified as tetracyclic triterpenoid , organic heterohexacyclic compound .


The molecule <smiles>C[C@@H](O)[C@@H]([NH3+])[C@@H]1[C@H](O)[C@H](O)[C@@H](O)[C@@H](OP(OP(=O)([O-])OC[C@H]2O[C@@H](N3C=4N=C(N)NC(=O)C4N=C3)[C@H](O)[C@@H]2O)(=O)[O-])O1</smiles> <smiles>C[C@@H](O)[C@@H]([NH3+])[C@@H]1[C@H](O)[C@H](O)[C@@H](O)[C@@H](OP(OP(=O)([O-])OC[C@H]2O[C@@H](N3C=4N=C(N)NC(=O)C4N=C3)[C@H](O)[C@@H]2O)(=O)[O-])O1</smiles> is major microspecies at pH 7.3. It is also related to or classified as GDP-hexose  . It is also related to or classified as monosaccharide derivative .


The molecule <smiles>C1[C@@H]2[NH+]3CC[C@@]42[C@H]5N(C=6C4=CC(=C(C6)OC)OC)C(C[C@H]7[C@@H]5[C@@H]1C(=CCO7)C3)=O</smiles> <smiles>C1[C@@H]2[NH+]3CC[C@@]42[C@H]5N(C=6C4=CC(=C(C6)OC)OC)C(C[C@H]7[C@@H]5[C@@H]1C(=CCO7)C3)=O</smiles> is major microspecies at pH 7.3. It is also related to or classified as indole alkaloid cation .


The molecule <smiles>S([C@@]12C(=O)C3=C(C(O)=CC=C3)C([C@@]1(O)[C@H](O[C@@H](C2)CC(=O)O)CCC)=O)C[C@H](NC(=O)C)C(=O)O</smiles> <smiles>S([C@@]12C(=O)C3=C(C(O)=CC=C3)C([C@@]1(O)[C@H](O[C@@H](C2)CC(=O)O)CCC)=O)C[C@H](NC(=O)C)C(=O)O</smiles> is Frenolicin C. It is also related to or classified as glycoside  . It is also related to or classified as benzochromenone .


The molecule <smiles>OC(=O)c1ccccc1Nc1ccccc1</smiles> <smiles>OC(=O)c1ccccc1Nc1ccccc1</smiles> is an aminobenzoic acid that is the N-phenyl derivative of  anthranilic acid. It acts as a parent skeleton for the synthesis of several non-steroidal anti-inflammatory drugs. It has the role of membrane transport modulator . Its functional parent is anthranilic acid . It is also related to or classified as aminobenzoic acid , secondary amino compound .


The molecule <smiles>C[C@@H]1O[C@@H](OCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2OP([O-])([O-])=O)N3C=NC4=C(N)N=CN=C34)[C@H](O)C[C@H]1O</smiles> <smiles>C[C@@H]1O[C@@H](OCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2OP([O-])([O-])=O)N3C=NC4=C(N)N=CN=C34)[C@H](O)C[C@H]1O</smiles> is conjugate base of bkos#12-CoA. It is also related to or classified as organic molecular entity .


The molecule <smiles>CCCC(=O)Nc1ccc(OCC(O)CNC(C)C)c(c1)C(C)=O</smiles> <smiles>CCCC(=O)Nc1ccc(OCC(O)CNC(C)C)c(c1)C(C)=O</smiles> is an ether that is the 2-acetyl-4-(butanoylamino)phenyl ether of the primary hydroxy group of 3-(propan-2-ylamino)propane-1,2-diol. It has the role of sympathomimetic agent . It has the role of beta-adrenergic antagonist . It has the role of antihypertensive agent . It has the role of anti-arrhythmia drug .  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 propanolamine  . It is also related to or classified as ethanolamines , secondary amino compound , aromatic amide .


The molecule <smiles>Cl[C@@H]1C=C2C(=O)C3=C(O)C4=C(O)C=C3C([C@]2(CC=C(CCC=C(C4)CO)C)OC1(C)C)=O</smiles> <smiles>Cl[C@@H]1C=C2C(=O)C3=C(O)C4=C(O)C=C3C([C@]2(CC=C(CCC=C(C4)CO)C)OC1(C)C)=O</smiles> is Napyradiomycin 1. It is also related to or classified as organic heterotricyclic compound , organooxygen compound .


The molecule <smiles>C[C@@H]1O[C@@H](OCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2OP(O)(O)=O)N3C=NC4=C(N)N=CN=C34)[C@H](O)C[C@H]1O</smiles> <smiles>C[C@@H]1O[C@@H](OCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2OP(O)(O)=O)N3C=NC4=C(N)N=CN=C34)[C@H](O)C[C@H]1O</smiles> is coA ester of bkos#12. It is also related to or classified as organic molecular entity .


The molecule <smiles>OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1CCC(=O)NC1=O</smiles> <smiles>OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1CCC(=O)NC1=O</smiles> is the uridine derivative obtained by formal hydrogenation of the endocyclic double bond in the uracil ring. It has the role of biomarker . It is also related to or classified as uridines .


The molecule <smiles>C[C@@H](O)[C@@H]([NH3+])[C@@H]1[C@H](O)[C@H](O)[C@@H](O)[C@@H](SC=2NC=C(C[C@@H](C(=O)[O-])[N+](C)(C)C)N2)O1</smiles> <smiles>C[C@@H](O)[C@@H]([NH3+])[C@@H]1[C@H](O)[C@H](O)[C@@H](O)[C@@H](SC=2NC=C(C[C@@H](C(=O)[O-])[N+](C)(C)C)N2)O1</smiles> is major microspecies at pH 7.3. It is also related to or classified as quaternary ammonium ion  . It is also related to or classified as S-glycosyl compound , monosaccharide derivative .


The molecule <smiles>O=C1C(C2=CC(OC3OC(C(O)C(C3O)O)C)=C(O)C=C2)=COC4=C1C=CC(=C4)O</smiles> <smiles>O=C1C(C2=CC(OC3OC(C(O)C(C3O)O)C)=C(O)C=C2)=COC4=C1C=CC(=C4)O</smiles> is N99-596 A. It is also related to or classified as acrovestone  . It is also related to or classified as isoflavonoid .


The molecule <smiles>C[C@@H]1O[C@@H](OCCCC(=O)CC([O-])=O)[C@H](O)C[C@H]1O</smiles> <smiles>C[C@@H]1O[C@@H](OCCCC(=O)CC([O-])=O)[C@H](O)C[C@H]1O</smiles> is conjugate base of bkos#12. It is also related to or classified as organic molecular entity .


The molecule <smiles>[NH3+][C@@H]1c2ccc(OS([O-])(=O)=O)c(Oc3cc(O)cc(c3)[C@@H]3NC(=O)[C@H](Cc4ccc(Oc5cc6cc(Oc7ccc(cc7Cl)[C@@H](O)[C@@H]7NC(=O)[C@H](NC(=O)[C@@H]6NC3=O)c3cc(Cl)c(O)c(c3)-c3c(O)cc(O)cc3[C@@H](NC7=O)C([O-])=O)c5[O-])c(Cl)c4)NC1=O)c2</smiles> <smiles>[NH3+][C@@H]1c2ccc(OS([O-])(=O)=O)c(Oc3cc(O)cc(c3)[C@@H]3NC(=O)[C@H](Cc4ccc(Oc5cc6cc(Oc7ccc(cc7Cl)[C@@H](O)[C@@H]7NC(=O)[C@H](NC(=O)[C@@H]6NC3=O)c3cc(Cl)c(O)c(c3)-c3c(O)cc(O)cc3[C@@H](NC7=O)C([O-])=O)c5[O-])c(Cl)c4)NC1=O)c2</smiles> is an organic anion obtained by deprotonation of the carboxy, sulfo and one of the hydroxy groups as well as protonation of the amino group of A47934; major species at pH 7.3. It is also related to or classified as organic anion .


The molecule <smiles>C[C@H](CN1CCCC1)C(=O)C1=CC=C(C=C1)C(F)(F)F</smiles> <smiles>C[C@H](CN1CCCC1)C(=O)C1=CC=C(C=C1)C(F)(F)F</smiles> is A 2-methyl-3-(pyrrolidin-1-yl)-1-[4-(trifluoromethyl)phenyl]propan-1-one in which the methyl group at position 2 adopts R-configuration. It is a muscle relaxant and induces ferroptosis in cancer cells. It has the role of ferroptosis inducer . It has the role of antineoplastic agent . It has the role of calcium channel blocker . It has the role of voltage-gated sodium channel blocker . It has the role of muscle relaxant . It is also related to or classified as 2-methyl-3-(pyrrolidin-1-yl)-1-[4-(trifluoromethyl)phenyl]propan-1-one  .


The molecule <smiles>P(=O)(OCC(OC(=O)C(O)CCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCC)(OCCNC=1C2=C(O)C=3C(=O)C4=C(O)C=CC=C4C(C3C(=C2C(C(=O)OC)=C(C1)CC)O)=O)O</smiles> <smiles>P(=O)(OCC(OC(=O)C(O)CCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCC)(OCCNC=1C2=C(O)C=3C(=O)C4=C(O)C=CC=C4C(C3C(=C2C(C(=O)OC)=C(C1)CC)O)=O)O</smiles> is Kyanomycin. It is also related to or classified as quinone  . It is also related to or classified as tetracenes .


The molecule <smiles>C[C@@H]1O[C@@H](OCCCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2OP([O-])([O-])=O)N3C=NC4=C(N)N=CN=C34)[C@H](O)C[C@H]1O</smiles> <smiles>C[C@@H]1O[C@@H](OCCCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2OP([O-])([O-])=O)N3C=NC4=C(N)N=CN=C34)[C@H](O)C[C@H]1O</smiles> is conjugate base of bkos#10-CoA. It is also related to or classified as organic molecular entity .


The molecule <smiles>CSc1ccc(O)cc1C</smiles> <smiles>CSc1ccc(O)cc1C</smiles> is 4-(methylsulfanyl)-m-cresol. Its functional parent is m-cresol . It is also related to or classified as phenols  . It is also related to or classified as aryl sulfide .


The molecule <smiles>[H]P(O)(=O)OP([H])(O)=O</smiles> <smiles>[H]P(O)(=O)OP([H])(O)=O</smiles> is diphosphonic acid. It is a conjugate acid of diphosphonate(1-) . It is also related to or classified as phosphorus oxoacid , acyclic phosphorus acid anhydride .


The molecule <smiles>OC(=O)c1cccc(F)c1</smiles> <smiles>OC(=O)c1cccc(F)c1</smiles> is A fluorobenzoic acid that is benzoic acid substituted by a fluoro group at position 3. It is a conjugate acid of 3-fluorobenzoate . It is also related to or classified as fluorobenzoic acid .


The molecule <smiles>COP(=S)(OC)Oc1ccc(SC)c(C)c1</smiles> <smiles>COP(=S)(OC)Oc1ccc(SC)c(C)c1</smiles> is an organic thiophosphate that is O,O-dimethyl hydrogen phosphorothioate in which the hydrogen atom of the hydroxy group is replaced by a 3-methyl-4-(methylsulfanyl)phenyl group. It exhibits  acaricidal and insecticidal activities. It has the role of acaricide . It has the role of insecticide . It has the role of agrochemical . It has the role of avicide . It has the role of EC 3.1.1.8 (cholinesterase) inhibitor . It has the role of EC 3.1.1.7 (acetylcholinesterase) inhibitor . Its functional parent is 4-(methylsulfanyl)-m-cresol . It is also related to or classified as organic thiophosphate .


The molecule <smiles>C[C@@H]1O[C@@H](OCCCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2OP(O)(O)=O)N3C=NC4=C(N)N=CN=C34)[C@H](O)C[C@H]1O</smiles> <smiles>C[C@@H]1O[C@@H](OCCCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2OP(O)(O)=O)N3C=NC4=C(N)N=CN=C34)[C@H](O)C[C@H]1O</smiles> is coA ester of bkos#10. It is also related to or classified as organic molecular entity .


The molecule <smiles>N[C@@H](Cc1ccc([O])cc1)C(O)=O</smiles> <smiles>N[C@@H](Cc1ccc([O])cc1)C(O)=O</smiles> is L-tyrosinyl radical. Its functional parent is L-tyrosine . It is also related to or classified as tyrosinyl radical  .


The molecule <smiles>Cl[H].CCCC(=O)Nc1ccc(OCC(O)CNC(C)C)c(c1)C(C)=O</smiles> <smiles>Cl[H].CCCC(=O)Nc1ccc(OCC(O)CNC(C)C)c(c1)C(C)=O</smiles> is the hydrochloride salt of acebutolol, prepared using equimolar amounts of acebutolol and hydrogen chloride. It has the role of sympathomimetic agent . It has the role of beta-adrenergic antagonist . It has the role of antihypertensive agent . It has the role of anti-arrhythmia drug . It is also related to or classified as hydrochloride .


The molecule <smiles>O=C(O)/C=C/C=C/[C@H]1O[C@H]2[C@](OCC[C@H]2C)(C)[C@H]3[C@@H]([C@@H]1O)[C@H]4[C@@H](CC(C)=CC4)C=C3C</smiles> <smiles>O=C(O)/C=C/C=C/[C@H]1O[C@H]2[C@](OCC[C@H]2C)(C)[C@H]3[C@@H]([C@@H]1O)[C@H]4[C@@H](CC(C)=CC4)C=C3C</smiles> is Pyrenulic acid D. It is also related to or classified as medium-chain fatty acid  .


The molecule <smiles>CC(C)CCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCC(C)C</smiles> <smiles>CC(C)CCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCC(C)C</smiles> is Diisodecyl phthalate.  It is also related to or classified as diester  . It is also related to or classified as phthalate ester .


The molecule <smiles>C[C@@H]1O[C@@H](OCCCCCCC(=O)CC([O-])=O)[C@H](O)C[C@H]1O</smiles> <smiles>C[C@@H]1O[C@@H](OCCCCCCC(=O)CC([O-])=O)[C@H](O)C[C@H]1O</smiles> is conjugate base of bkos#10. It is also related to or classified as organic molecular entity .


The molecule <smiles>CC[C@H]1C[C@@H](C)C(=O)\C=C\C(C)=C\[C@H](C)[C@@H](CC)OC(=O)C[C@@H](O)[C@H](C)[C@H]1O[C@@H]1O[C@H](C)[C@@H](O)[C@@H]([C@H]1O)[NH+](C)C</smiles> <smiles>CC[C@H]1C[C@@H](C)C(=O)\C=C\C(C)=C\[C@H](C)[C@@H](CC)OC(=O)C[C@@H](O)[C@H](C)[C@H]1O[C@@H]1O[C@H](C)[C@@H](O)[C@@H]([C@H]1O)[NH+](C)C</smiles> is an organic cation that is the conjugate acid of 5-O-beta-D-mycaminosyltylactone, obtained by protonation of the tertiary amino group; major species at pH 7.3. It is a conjugate acid of 5-O-beta-D-mycaminosyltylactone . It is also related to or classified as organic cation , ammonium ion derivative .


The molecule <smiles>BrC1=C(O)C=2C(=O)C=3O[C@]([C@@H]4CCC(=C[C@@H]4C3C(C2C=C1O)=O)C)(CCC=C(C)C)C</smiles> <smiles>BrC1=C(O)C=2C(=O)C=3O[C@]([C@@H]4CCC(=C[C@@H]4C3C(C2C=C1O)=O)C)(CCC=C(C)C)C</smiles> is Isomarinone. It is also related to or classified as organic heterotricyclic compound , organooxygen compound .


The molecule <smiles>C[C@@H]1O[C@@H](OCCCCC(=O)CC([O-])=O)[C@H](O)C[C@H]1O</smiles> <smiles>C[C@@H]1O[C@@H](OCCCCC(=O)CC([O-])=O)[C@H](O)C[C@H]1O</smiles> is conjugate base of bkos#1. It is also related to or classified as organic molecular entity .


The molecule <smiles>OC(=O)Cc1cnc[nH]1</smiles> <smiles>OC(=O)Cc1cnc[nH]1</smiles> is A monocarboxylic acid that is acetic acid in which one of the methyl hydrogens has been replaced by an imidazol-5-yl group. It has the role of metabolite . Its functional parent is acetic acid . It is also related to or classified as imidazoles , monocarboxylic acid .


The molecule <smiles>OC(=O)CC1=NCN=C1</smiles> <smiles>OC(=O)CC1=NCN=C1</smiles> is an imidazolyl carboxylic acid that is acetic acid in which one of the methyl hydrogens is substituted by a 2H-imidazol-4-yl group. It has the role of metabolite . Its functional parent is acetic acid . It is also related to or classified as imidazoles , monocarboxylic acid .


The molecule <smiles>O=C1N2[C@H](C(=O)O[C@H]([C@@H](C[C@H]3C[C@@H](OC)[C@H](OC(=O)C(CO)(CO)C)CC3)C)CC(=O)[C@@H](C=C([C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@@H](C=CC=CC=C([C@H](C[C@H]4O[C@](C1=O)(O)[C@@H](CC4)C)OC)C)CC)C)C)CCCC2</smiles> <smiles>O=C1N2[C@H](C(=O)O[C@H]([C@@H](C[C@H]3C[C@@H](OC)[C@H](OC(=O)C(CO)(CO)C)CC3)C)CC(=O)[C@@H](C=C([C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@@H](C=CC=CC=C([C@H](C[C@H]4O[C@](C1=O)(O)[C@@H](CC4)C)OC)C)CC)C)C)CCCC2</smiles> is Homotemsirolimus B. It is also related to or classified as lactam  . It is also related to or classified as macrolide  .


The molecule <smiles>CNC(=O)CSP(=S)(OC)OC</smiles> <smiles>CNC(=O)CSP(=S)(OC)OC</smiles> is A monocarboxylic acid amide that is N-methylacetamide in which one of the hydrogens of the methyl group attached to the carbonyl moiety is replaced by a (dimethoxyphosphorothioyl)sulfanediyl group. It has the role of acaricide . It has the role of insecticide . It has the role of agrochemical . It has the role of xenobiotic . It has the role of EC 3.1.1.8 (cholinesterase) inhibitor . It has the role of EC 3.1.1.7 (acetylcholinesterase) inhibitor . It has the role of environmental contaminant . Its functional parent is N-methyl-2-sulfanylacetamide . It is also related to or classified as monocarboxylic acid amide  . It is also related to or classified as organic thiophosphate .


The molecule <smiles>C[C@@H](O[C@@H]1O[C@@H](C)[C@H](O)C[C@H]1O)C(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2OP([O-])([O-])=O)N3C=NC4=C(N)N=CN=C34</smiles> <smiles>C[C@@H](O[C@@H]1O[C@@H](C)[C@H](O)C[C@H]1O)C(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2OP([O-])([O-])=O)N3C=NC4=C(N)N=CN=C34</smiles> is conjugate base of bkas#9-CoA. It is also related to or classified as organic molecular entity .


The molecule <smiles>CNC(=O)CS</smiles> <smiles>CNC(=O)CS</smiles> is A monocarboxylic acid amide resulting from formal condensation between mercaptoacetic acid and methylamine. Its functional parent is acetamide . It is also related to or classified as monocarboxylic acid amide  .


The molecule <smiles>O=C1N2[C@@H](C(=O)N[C@@H]1CC(C)C)CCC2</smiles> <smiles>O=C1N2[C@@H](C(=O)N[C@@H]1CC(C)C)CCC2</smiles> is Cyclo(D)-Pro-(D)-Leu. 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](O[C@@H]1O[C@@H](C)[C@H](O)C[C@H]1O)C(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2OP(O)(O)=O)N3C=NC4=C(N)N=CN=C34</smiles> <smiles>C[C@@H](O[C@@H]1O[C@@H](C)[C@H](O)C[C@H]1O)C(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2OP(O)(O)=O)N3C=NC4=C(N)N=CN=C34</smiles> is coA ester of bkas#9. It is also related to or classified as organic molecular entity .


The molecule <smiles>C[C@H]1O[C@H](O[C@@H]2[C@@H](CO)O[C@H](O[C@@H]3[C@@H](CO)OC(O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1N[C@H]1C=C(CO)[C@@H](O)[C@H](O)[C@H]1O</smiles> <smiles>C[C@H]1O[C@H](O[C@@H]2[C@@H](CO)O[C@H](O[C@@H]3[C@@H](CO)OC(O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1N[C@H]1C=C(CO)[C@@H](O)[C@H](O)[C@H]1O</smiles> is A tetrasaccharide derivative consisting of a dideoxy-4-{[4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl C7 cyclitol moiety [called valienol (or valienamine)] linked via nitrogen to isomaltotriose. It has the role of geroprotector . It has the role of hypoglycemic agent . It has the role of EC 3.2.1.1 (alpha-amylase) inhibitor . It has the role of EC 3.2.1.20 (alpha-glucosidase) inhibitor . It is also related to or classified as tetrasaccharide derivative .


The molecule <smiles>O1[C@@H](OC=2C(=[O+]C=3C(C2)=C(O)C=C(O)C3)C4=CC=C(O)C=C4)C(O)C(O)[C@@H](O)C1</smiles> <smiles>O1[C@@H](OC=2C(=[O+]C=3C(C2)=C(O)C=C(O)C3)C4=CC=C(O)C=C4)C(O)C(O)[C@@H](O)C1</smiles> is Pelargonidin 3-O-arabinoside. It is also related to or classified as glycoside  . It is also related to or classified as flavonoids .


The molecule <smiles>C=1NC=C(CC([O-])=O)N1</smiles> <smiles>C=1NC=C(CC([O-])=O)N1</smiles> is conjugate base of imidazol-4-ylacetic acid; major species at pH 7.3. It has the role of human metabolite . It is also related to or classified as monocarboxylic acid anion  .


The molecule <smiles>O1C2(OC(C)(C)[C@H]([C@H]2O)C)[C@H]([C@@H]3[C@@]4([C@@]1(C5=C(C(=C(OC)C=C5)C)C=C4)CC3)C)C</smiles> <smiles>O1C2(OC(C)(C)[C@H]([C@H]2O)C)[C@H]([C@@H]3[C@@]4([C@@]1(C5=C(C(=C(OC)C=C5)C)C=C4)CC3)C)C</smiles> is Blazeispirol A. It is also related to or classified as organic heterotricyclic compound , organooxygen compound .


The molecule <smiles>C[C@@H](O[C@@H]1O[C@@H](C)[C@H](O)C[C@H]1O)C(=O)CC([O-])=O</smiles> <smiles>C[C@@H](O[C@@H]1O[C@@H](C)[C@H](O)C[C@H]1O)C(=O)CC([O-])=O</smiles> is conjugate base of bkas#9. It is also related to or classified as organic molecular entity .


The molecule <smiles>N[C@@H]1c2ccc(OS(O)(=O)=O)c(Oc3cc(O)cc(c3)[C@@H]3NC(=O)[C@H](Cc4ccc(Oc5cc6cc(Oc7ccc(cc7Cl)[C@@H](O)[C@@H]7NC(=O)[C@H](NC(=O)[C@@H]6NC3=O)c3cc(Cl)c(O)c(c3)-c3c(O)cc(O)cc3[C@@H](NC7=O)C(O)=O)c5O)c(Cl)c4)NC1=O)c2</smiles> <smiles>N[C@@H]1c2ccc(OS(O)(=O)=O)c(Oc3cc(O)cc(c3)[C@@H]3NC(=O)[C@H](Cc4ccc(Oc5cc6cc(Oc7ccc(cc7Cl)[C@@H](O)[C@@H]7NC(=O)[C@H](NC(=O)[C@@H]6NC3=O)c3cc(Cl)c(O)c(c3)-c3c(O)cc(O)cc3[C@@H](NC7=O)C(O)=O)c5O)c(Cl)c4)NC1=O)c2</smiles> is A cyclic peptide antibiotic produced by a strain of Streptomyces toyocaensis. It has the role of fungal metabolite . It is a conjugate acid of A47934(2-) .    It is also related to or classified as organochlorine compound  . It is also related to or classified as heterodetic cyclic peptide , peptide antibiotic , polyphenol , cyclic ether , aryl sulfate .


The molecule <smiles>CC(\C=C\[C@]1(O)[C@@]2(C)CO[C@]1(C)C[C@@H](O)C2)=C\C(O)=O</smiles> <smiles>CC(\C=C\[C@]1(O)[C@@]2(C)CO[C@]1(C)C[C@@H](O)C2)=C\C(O)=O</smiles> is an apo carotenoid sesquiterpenoid that is phaseic acid in which the keto group has been reduced to the corresponding alcohol such that the two hydroxy groups are on opposite sides of the 6-membered ring. It has the role of metabolite . Its functional parent is phaseic acid . It is also related to or classified as tertiary alcohol  . It is also related to or classified as secondary alcohol  . It is also related to or classified as 6-hydroxy monocarboxylic acid , apo carotenoid sesquiterpenoid , cyclic ether , alpha,beta-unsaturated monocarboxylic acid .


The molecule <smiles>O=C1C2=C(C(O)=C(OC)C=C2O)C(=O)[C@H]3[C@H]1CO[C@](C3)(OCCCC)C</smiles> <smiles>O=C1C2=C(C(O)=C(OC)C=C2O)C(=O)[C@H]3[C@H]1CO[C@](C3)(OCCCC)C</smiles> is 3-O-butyl-4a,10a-dihydrofusarubin A. It is also related to or classified as organic heterotricyclic compound , organooxygen compound .


The molecule <smiles>C[C@H](CCCCCCCCCCCCCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)N2C=NC3=C(N)N=CN=C23)O[C@@H]4O[C@@H](C)[C@H](O)C[C@H]4O</smiles> <smiles>C[C@H](CCCCCCCCCCCCCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)N2C=NC3=C(N)N=CN=C23)O[C@@H]4O[C@@H](C)[C@H](O)C[C@H]4O</smiles> is conjugate base of bkas#38-CoA. It is also related to or classified as organic molecular entity .


The molecule <smiles>C(C=1N=C(NC1O)SC)CC(=O)[O-]</smiles> <smiles>C(C=1N=C(NC1O)SC)CC(=O)[O-]</smiles> is major microspecies at pH 7.3. Its functional parent is hydantoin-5-propionate . It is also related to or classified as organic sulfide  .


The molecule <smiles>CC(C)C(C(O)=O)c1ccc(O)cc1</smiles> <smiles>CC(C)C(C(O)=O)c1ccc(O)cc1</smiles> is 2-(4-hydroxyphenyl)-3-methylbutyric acid. Its functional parent is isovaleric acid . It is also related to or classified as phenols  .


The molecule <smiles>O1[C@@H](OC2=CC=C([C@@H]3CC4=C(OC3)C=C(O)C=C4)C=C2)[C@H](O)[C@@H](O)[C@H](O)[C@H]1C(O)=O</smiles> <smiles>O1[C@@H](OC2=CC=C([C@@H]3CC4=C(OC3)C=C(O)C=C4)C=C2)[C@H](O)[C@@H](O)[C@H](O)[C@H]1C(O)=O</smiles> is Equol 4'-O-glucuronide. It is also related to or classified as acrovestone  . It is also related to or classified as isoflavonoid .


The molecule <smiles>C1(C(NC([C@@H](N1)CCCNC(N)=[NH2+])=O)CC2=CC=C(C=C2)O)=O</smiles> <smiles>C1(C(NC([C@@H](N1)CCCNC(N)=[NH2+])=O)CC2=CC=C(C=C2)O)=O</smiles> is major microspecies at pH 7.3.  It is also related to or classified as guanidinium ion  . It is also related to or classified as 2,5-diketopiperazines  . It is also related to or classified as dipeptide  . It is also related to or classified as alpha-amino-acid cation .


The molecule <smiles>O=C1OC(C2=CN=CC=C2)=CC3=C1C=C4[C@]5([C@@H]([C@@]6([C@](O)(C(=C)C)CC5)COC(=O)CC6)C[C@@H]([C@@]4(O3)C)O)C</smiles> <smiles>O=C1OC(C2=CN=CC=C2)=CC3=C1C=C4[C@]5([C@@H]([C@@]6([C@](O)(C(=C)C)CC5)COC(=O)CC6)C[C@@H]([C@@]4(O3)C)O)C</smiles> is Pileotin A. It is also related to or classified as organic heterotricyclic compound , organooxygen compound .


The molecule <smiles>CC(C)OC(=O)c1ccccc1C(=O)OC(C)C</smiles> <smiles>CC(C)OC(=O)c1ccccc1C(=O)OC(C)C</smiles> is Diisopropyl phthalate.  It is also related to or classified as isopropyl ester  . It is also related to or classified as diester  . It is also related to or classified as phthalate ester .


The molecule <smiles>C[C@H](CCCCCCCCCCCCCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N2C=NC3=C(N)N=CN=C23)O[C@@H]4O[C@@H](C)[C@H](O)C[C@H]4O</smiles> <smiles>C[C@H](CCCCCCCCCCCCCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N2C=NC3=C(N)N=CN=C23)O[C@@H]4O[C@@H](C)[C@H](O)C[C@H]4O</smiles> is coA ester of bkas#38. It is also related to or classified as organic molecular entity .


The molecule <smiles>O=C1/C(/C2=CCCNC2=C1)=C\C</smiles> <smiles>O=C1/C(/C2=CCCNC2=C1)=C\C</smiles> is Streptazone B1. It is also related to or classified as enamine  . It is also related to or classified as enone  .


The molecule <smiles>C[C@H](CCCCCCCCCCCCCCCCC(=O)CC([O-])=O)O[C@@H]1O[C@@H](C)[C@H](O)C[C@H]1O</smiles> <smiles>C[C@H](CCCCCCCCCCCCCCCCC(=O)CC([O-])=O)O[C@@H]1O[C@@H](C)[C@H](O)C[C@H]1O</smiles> is conjugate base of bkas#38. It is also related to or classified as organic molecular entity .


The molecule <smiles>C1=CC(C([C@]2([C@]1([C@@]3([C@@]([C@@H](C2)OC(C)=O)(C=4[C@@](CC3)([C@@](CC4)(C(CO)CC=O)[H])C)C)[H])C)[H])(C)C)=O</smiles> <smiles>C1=CC(C([C@]2([C@]1([C@@]3([C@@]([C@@H](C2)OC(C)=O)(C=4[C@@](CC3)([C@@](CC4)(C(CO)CC=O)[H])C)C)[H])C)[H])(C)C)=O</smiles> is (1S,3bR,4R,5aR,9aR,9bR,11aS)-1-(1-hydroxy-4-oxobutan-2-yl)-3b,6,6,9a,11a-pentamethyl-7-oxo-1H,2H,3bH,4H,5H,5aH,6H,7H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-4-yl acetate.  It is also related to or classified as acetate ester  . It is also related to or classified as tetracyclic triterpenoid .


The molecule <smiles>O1[C@@H](OC=2C(=[O+]C=3C(C2)=C(O)C=C(O)C3)C4=CC(OC)=C(O)C(OC)=C4)[C@H](O)[C@@H](O)[C@@H](O)C1</smiles> <smiles>O1[C@@H](OC=2C(=[O+]C=3C(C2)=C(O)C=C(O)C3)C4=CC(OC)=C(O)C(OC)=C4)[C@H](O)[C@@H](O)[C@@H](O)C1</smiles> is Malvidin 3-O-arabinoside. It is also related to or classified as glycoside  . It is also related to or classified as flavonoids .


The molecule <smiles>O=C1O[C@H](C(C=CC=C([C@@H](O)C[C@H](O)C[C@@H](O)C[C@H](OC(=O)CCCCCCCCC(C)C)C[C@@H]2O[C@@](C[C@@H]([C@H](CCC(C(C(CC(C(C=CC=C1C)C)O)O)C)O)C)O)(O)[C@@H](O)[C@@H](C2)O)C)C)[C@H](CCCC=CCCCNC(=NC)N)C</smiles> <smiles>O=C1O[C@H](C(C=CC=C([C@@H](O)C[C@H](O)C[C@@H](O)C[C@H](OC(=O)CCCCCCCCC(C)C)C[C@@H]2O[C@@](C[C@@H]([C@H](CCC(C(C(CC(C(C=CC=C1C)C)O)O)C)O)C)O)(O)[C@@H](O)[C@@H](C2)O)C)C)[C@H](CCCC=CCCCNC(=NC)N)C</smiles> is 23-(10-methyl)undecanoic acid demalonylazalomycin F4a ester. It is also related to or classified as macrolide  .


The molecule <smiles>C[C@H](CCCCCCCCCCCCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)N2C=NC3=C(N)N=CN=C23)O[C@@H]4O[C@@H](C)[C@H](O)C[C@H]4O</smiles> <smiles>C[C@H](CCCCCCCCCCCCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)N2C=NC3=C(N)N=CN=C23)O[C@@H]4O[C@@H](C)[C@H](O)C[C@H]4O</smiles> is conjugate base of bkas#36-CoA. It is also related to or classified as organic molecular entity .


The molecule <smiles>O=C1N2C(OCC2)(CC=3C1=C(O)C=4C5=C(O)C=6C(=O)C7=C(C(O)C(OC8OC(C(OC9OC(C(OC%10OC(C(O)C(C%10)OC)C)C(C9)OC)C)CC8)C)CC7O)OC6C%11=C5C(OCO%11)CC4C3)C</smiles> <smiles>O=C1N2C(OCC2)(CC=3C1=C(O)C=4C5=C(O)C=6C(=O)C7=C(C(O)C(OC8OC(C(OC9OC(C(OC%10OC(C(O)C(C%10)OC)C)C(C9)OC)C)CC8)C)CC7O)OC6C%11=C5C(OCO%11)CC4C3)C</smiles> is Kigamicin D. It is also related to or classified as glycoside  . It is also related to or classified as benzochromenone .


The molecule <smiles>C[C@H](CCCCCCCCCCCCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N2C=NC3=C(N)N=CN=C23)O[C@@H]4O[C@@H](C)[C@H](O)C[C@H]4O</smiles> <smiles>C[C@H](CCCCCCCCCCCCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N2C=NC3=C(N)N=CN=C23)O[C@@H]4O[C@@H](C)[C@H](O)C[C@H]4O</smiles> is coA ester of bkas#36. It is also related to or classified as organic molecular entity .


The molecule <smiles>C[C@H]1C[C@H]2[C@@H]3CC[C@](OC(C)=O)(C(C)=O)[C@@]3(C)C[C@H](O)[C@]2(F)[C@@]2(C)C=CC(=O)C=C12</smiles> <smiles>C[C@H]1C[C@H]2[C@@H]3CC[C@](OC(C)=O)(C(C)=O)[C@@]3(C)C[C@H](O)[C@]2(F)[C@@]2(C)C=CC(=O)C=C12</smiles> is A steroid ester resulting from the formal condensation of the 17-hydroxy function of fluorometholone with acetic acid. Used in the treatment of steroid responsive inflammatory conditions of the palpebral and bulbar conjunctiva, cornea, and anterior segment of the eye. It has the role of anti-inflammatory drug . Its functional parent is fluorometholone . Its functional parent is Delta(1)-progesterone .  It is also related to or classified as 11beta-hydroxy steroid  .  It is also related to or classified as acetate ester  .   It is also related to or classified as 3-oxo-Delta(1),Delta(4)-steroid  . It is also related to or classified as glucocorticoid , 20-oxo steroid , steroid ester , fluorinated steroid .


The molecule <smiles>[H]OS(=O)(=O)S(=O)(=O)O[H]</smiles> <smiles>[H]OS(=O)(=O)S(=O)(=O)O[H]</smiles> is dithionic acid. It is a conjugate acid of dithionate(1-) . It is also related to or classified as sulfur oxoacid .


The molecule <smiles>C[C@H](NC(=O)[C@@H](C)O[C@H]1[C@H](O)[C@@H](CO)OC(OP([O-])(=O)OP([O-])(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2ccc(=O)[nH]c2=O)[C@@H]1NC(C)=O)C(=O)N[C@H](CCC([O-])=O)C([O-])=O</smiles> <smiles>C[C@H](NC(=O)[C@@H](C)O[C@H]1[C@H](O)[C@@H](CO)OC(OP([O-])(=O)OP([O-])(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2ccc(=O)[nH]c2=O)[C@@H]1NC(C)=O)C(=O)N[C@H](CCC([O-])=O)C([O-])=O</smiles> is tetraanion of UDP-N-acetylmuramoyl-L-alanyl-D-glutamic acid arising from deprotonation of the diphosphate and glutamate carboxy groups; major species at pH 7.3. It is also related to or classified as nucleotide-sugar oxoanion .


The molecule <smiles>O[C@@H](CN1C[C@H](O)[C@H]1C(O)=O)[C@H](NCC[C@H](O)C(O)=O)C(O)=O</smiles> <smiles>O[C@@H](CN1C[C@H](O)[C@H]1C(O)=O)[C@H](NCC[C@H](O)C(O)=O)C(O)=O</smiles> is 3-epi-3-hydroxymugineic acid. Its functional parent is mugineic acid . It is a conjugate acid of 3-epi-3-hydroxymugineate(2-) . It is also related to or classified as tricarboxylic acid .


The molecule <smiles>CC(C)[C@H](C(=O)OC(C#N)c1cccc(Oc2ccccc2)c1)c1ccc(OC(F)F)cc1</smiles> <smiles>CC(C)[C@H](C(=O)OC(C#N)c1cccc(Oc2ccccc2)c1)c1ccc(OC(F)F)cc1</smiles> is flucythrinate. It has the role of agrochemical . It has the role of pyrethroid ester insecticide . It has the role of pyrethroid ester acaricide . Its functional parent is 2-(4-hydroxyphenyl)-3-methylbutyric acid . It is also related to or classified as organofluorine insecticide , organofluorine acaricide .


The molecule <smiles>C[C@H](CCCCCCCCCCCCCCCC(=O)CC([O-])=O)O[C@@H]1O[C@@H](C)[C@H](O)C[C@H]1O</smiles> <smiles>C[C@H](CCCCCCCCCCCCCCCC(=O)CC([O-])=O)O[C@@H]1O[C@@H](C)[C@H](O)C[C@H]1O</smiles> is conjugate base of bkas#36. It is also related to or classified as organic molecular entity .


The molecule <smiles>O=C1OC23C(=O)NC(C2C(C)C(=CC3C=C(CCC4C(C=C1)O4)C)C)CC(C)C</smiles> <smiles>O=C1OC23C(=O)NC(C2C(C)C(=CC3C=C(CCC4C(C=C1)O4)C)C)CC(C)C</smiles> is Aspochalasin F. It is also related to or classified as lactam  . It is also related to or classified as macrolide  .


The molecule <smiles>O1C2=C(C=C1C)C(C=C(C2=O)OC)=O</smiles> <smiles>O1C2=C(C=C1C)C(C=C(C2=O)OC)=O</smiles> is A member of the class of 1-benzofurans that is 1-benzofuran-4,7-dione bearing additional methyl and methoxy substituents at positions 2 and 7 respectively. It is also related to or classified as p-quinones , 1-benzofurans .


The molecule <smiles>C[C@H](CCCCCCCCCCCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)N2C=NC3=C(N)N=CN=C23)O[C@@H]4O[C@@H](C)[C@H](O)C[C@H]4O</smiles> <smiles>C[C@H](CCCCCCCCCCCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)N2C=NC3=C(N)N=CN=C23)O[C@@H]4O[C@@H](C)[C@H](O)C[C@H]4O</smiles> is conjugate base of bkas#34-CoA. It is also related to or classified as organic molecular entity .


The molecule <smiles>O=C1N[C@@H](C(=O)O[C@@H]([C@@H](C=CC(=O)NCC=CC(=C[C@H](C[C@@H](CC2=NC1=CO2)O)O)C)C)C(C)C)C</smiles> <smiles>O=C1N[C@@H](C(=O)O[C@@H]([C@@H](C=CC(=O)NCC=CC(=C[C@H](C[C@@H](CC2=NC1=CO2)O)O)C)C)C(C)C)C</smiles> is A2315A. It is also related to or classified as lactam  . It is also related to or classified as macrolide  .


The molecule <smiles>OC(=O)\C=C/CC(=O)C(O)=O</smiles> <smiles>OC(=O)\C=C/CC(=O)C(O)=O</smiles> is an oxo dicarboxylic acid that is (Z)-2-hexenedioic acid in which the hydrogens at position 5 are substituted by an oxo group. Its functional parent is 2-hexenedioic acid . It is a conjugate acid of (Z)-5-oxohex-2-enedioate . It is also related to or classified as oxo dicarboxylic acid .


The molecule <smiles>[O-][N+](=O)c1ccc(Cl)c(c1)[N+]([O-])=O</smiles> <smiles>[O-][N+](=O)c1ccc(Cl)c(c1)[N+]([O-])=O</smiles> is A C-nitro compound that is chlorobenzene carrying a nitro substituent at each of the 2- and 4-positions. It has the role of sensitiser . It has the role of allergen . It has the role of epitope . It is also related to or classified as C-nitro compound , monochlorobenzenes .


The molecule <smiles>C[C@H](CCCCCCCCCCCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N2C=NC3=C(N)N=CN=C23)O[C@@H]4O[C@@H](C)[C@H](O)C[C@H]4O</smiles> <smiles>C[C@H](CCCCCCCCCCCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N2C=NC3=C(N)N=CN=C23)O[C@@H]4O[C@@H](C)[C@H](O)C[C@H]4O</smiles> is coA ester of bkas#34. It is also related to or classified as organic molecular entity .


The molecule <smiles>O=C1OCC2=C[C@H]3OC([C@@]4(C3[C@@](C2=C1)(CC[C@H]4O)C)C)=O</smiles> <smiles>O=C1OCC2=C[C@H]3OC([C@@]4(C3[C@@](C2=C1)(CC[C@H]4O)C)C)=O</smiles> is (1S,9R,12R,13R)-13-hydroxy-1,12-dimethyl-5,10-dioxatetracyclo[7.6.1.02,7.012,16]hexadeca-2,7-diene-4,11-dione. It is also related to or classified as organic heterotricyclic compound , organooxygen compound .


The molecule <smiles>O=C1OCCc2ccccc12</smiles> <smiles>O=C1OCCc2ccccc12</smiles> is the simplest member of the class of dihydroisocoumarins that is the 3,4-dihydro derivative of isocoumarin. Its functional parent is isocoumarin . It is also related to or classified as dihydroisocoumarins .


The molecule <smiles>O1[C@H]2N3[C@H]4[C@H](N5CCO[C@@H]5[C@H]6C[C@@H]2N(C)[C@@H]46)C=7C([C@@H]3C1)=C(O)C(OC)=C(C)C7O</smiles> <smiles>O1[C@H]2N3[C@H]4[C@H](N5CCO[C@@H]5[C@H]6C[C@@H]2N(C)[C@@H]46)C=7C([C@@H]3C1)=C(O)C(OC)=C(C)C7O</smiles> is Bioxalomycin alpha2. It is also related to or classified as organic heterobicyclic compound , organonitrogen heterocyclic compound .


The molecule <smiles>C[C@H](CCCCCCCCCCCCCCC(=O)CC([O-])=O)O[C@@H]1O[C@@H](C)[C@H](O)C[C@H]1O</smiles> <smiles>C[C@H](CCCCCCCCCCCCCCC(=O)CC([O-])=O)O[C@@H]1O[C@@H](C)[C@H](O)C[C@H]1O</smiles> is conjugate base of bkas#34. It is also related to or classified as organic molecular entity .


The molecule <smiles>[H][C@@]12CO[C@@H](c3cc(OC)c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)c(OC)c3)[C@]1([H])CO[C@H]2c1cc(OC)c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(OC)c1</smiles> <smiles>[H][C@@]12CO[C@@H](c3cc(OC)c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)c(OC)c3)[C@]1([H])CO[C@H]2c1cc(OC)c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(OC)c1</smiles> is A beta-D-glucoside that is the 4,4'-bis(beta-D-glucosyl) derivative of (-)-syringaresinol. It has the role of antioxidant . It has the role of anti-inflammatory agent . It has the role of plant metabolite . Its functional parent is (-)-syringaresinol . It is also related to or classified as beta-D-glucoside  .


The molecule <smiles>N[C@@H](Cc1ccc([OH+])cc1)C(O)=O</smiles> <smiles>N[C@@H](Cc1ccc([OH+])cc1)C(O)=O</smiles> is L-tyrosinyl radical cation. Its functional parent is L-tyrosine . It is a conjugate acid of L-tyrosinyl radical . It is also related to or classified as tyrosinyl radical cation  .


The molecule <smiles>ClCC[C@@H]1C(=O)N[C@@]2([C@]1(OC2=O)C)[C@@H](O)[C@@H]3C=CCCC3</smiles> <smiles>ClCC[C@@H]1C(=O)N[C@@]2([C@]1(OC2=O)C)[C@@H](O)[C@@H]3C=CCCC3</smiles> is Salinosporamide F. 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](CCCCCCCCCCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)N2C=NC3=C(N)N=CN=C23)O[C@@H]4O[C@@H](C)[C@H](O)C[C@H]4O</smiles> <smiles>C[C@H](CCCCCCCCCCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)N2C=NC3=C(N)N=CN=C23)O[C@@H]4O[C@@H](C)[C@H](O)C[C@H]4O</smiles> is conjugate base of bkas#32-CoA. It is also related to or classified as organic molecular entity .


The molecule <smiles>O1C([C@H](O)[C@@H](O)[C@@H]1CO)C=2C(O)=C(C3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)CO)C(O)=C4C2OC(=CC4=O)C5=CC=C(O)C=C5</smiles> <smiles>O1C([C@H](O)[C@@H](O)[C@@H]1CO)C=2C(O)=C(C3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)CO)C(O)=C4C2OC(=CC4=O)C5=CC=C(O)C=C5</smiles> is Apigenin glucoside arabinoside. It is also related to or classified as C-glycosyl compound , flavonoids .


The molecule <smiles>O=C1O[C@@H](CCCC(=O)CCCC(CC=2C1=C(O)C=C(O)C2)=O)C</smiles> <smiles>O=C1O[C@@H](CCCC(=O)CCCC(CC=2C1=C(O)C=C(O)C2)=O)C</smiles> is Neocosmosin B. It is also related to or classified as macrolide  . It is also related to or classified as resorcinols .


The molecule <smiles>C[C@H](CCCCCCCCCCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N2C=NC3=C(N)N=CN=C23)O[C@@H]4O[C@@H](C)[C@H](O)C[C@H]4O</smiles> <smiles>C[C@H](CCCCCCCCCCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N2C=NC3=C(N)N=CN=C23)O[C@@H]4O[C@@H](C)[C@H](O)C[C@H]4O</smiles> is coA ester of bkas#32. It is also related to or classified as organic molecular entity .


The molecule <smiles>O(C(C1=CC=CC=C1)=C(OC)C(O)=O)C</smiles> <smiles>O(C(C1=CC=CC=C1)=C(OC)C(O)=O)C</smiles> is Dimethoxycinnamic acid. Its functional parent is pyruvic acid . It is also related to or classified as 2-oxo monocarboxylic acid  .


The molecule <smiles>C1[C@@H]2[NH+]3CC[C@@]42[C@H]5N(C=6C4=CC(=C(C6)O)OC)C(C[C@H]7[C@@H]5[C@@H]1C(=CCO7)C3)=O</smiles> <smiles>C1[C@@H]2[NH+]3CC[C@@]42[C@H]5N(C=6C4=CC(=C(C6)O)OC)C(C[C@H]7[C@@H]5[C@@H]1C(=CCO7)C3)=O</smiles> is major microspecies at pH 7.3. It is also related to or classified as indole alkaloid cation .


The molecule <smiles>O=C(O)C1(O)C2(OC(CCCC(OC(=O)C)CCCCCCC)(OC1C(=O)O)[C@@H]([C@H]2OC(=O)CC/C=C/C(CCCC3=CC=CC=C3)C)O)C(=O)O</smiles> <smiles>O=C(O)C1(O)C2(OC(CCCC(OC(=O)C)CCCCCCC)(OC1C(=O)O)[C@@H]([C@H]2OC(=O)CC/C=C/C(CCCC3=CC=CC=C3)C)O)C(=O)O</smiles> is Zaragozic acid F. Its functional parent is hexacarboxylic acid . It is also related to or classified as organooxygen compound .


The molecule <smiles>COc1cncc2C(C)NC(=O)Cc12</smiles> <smiles>COc1cncc2C(C)NC(=O)Cc12</smiles> is A 2,7-naphthyridine derivative that is 1,4-dihydro-2,7-naphthyridin-3(2H)-one which is substituted at positions 1 and 5 by methyl and methoxy groups, respectively. It is also related to or classified as 2,7-naphthyridine derivative .


The molecule <smiles>C[C@H](CCCCCCCCCCCCCC(=O)CC([O-])=O)O[C@@H]1O[C@@H](C)[C@H](O)C[C@H]1O</smiles> <smiles>C[C@H](CCCCCCCCCCCCCC(=O)CC([O-])=O)O[C@@H]1O[C@@H](C)[C@H](O)C[C@H]1O</smiles> is conjugate base of bkas#32. It is also related to or classified as organic molecular entity .


The molecule <smiles>[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC(=O)[C@@]4([H])C[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)[C@@H](O)[C@H](O)[C@@H](C)C(C)C</smiles> <smiles>[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC(=O)[C@@]4([H])C[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)[C@@H](O)[C@H](O)[C@@H](C)C(C)C</smiles> is teasterone.  It is also related to or classified as 3beta-hydroxy steroid  . It is also related to or classified as phytosteroid , 22-hydroxy steroid , 23-hydroxy steroid , 6-oxo steroid .


The molecule <smiles>O1C([C@@H](O)[C@H](O)C(O)[C@@H]1OC=2C3=C(OC(=CC3=O)C4=CC=C(O)C=C4)C=C(O)C2)COC(=O)CC(O)=O</smiles> <smiles>O1C([C@@H](O)[C@H](O)C(O)[C@@H]1OC=2C3=C(OC(=CC3=O)C4=CC=C(O)C=C4)C=C(O)C2)COC(=O)CC(O)=O</smiles> is Apigenin 5-(6''-malonylglucoside). It is also related to or classified as glycoside  . It is also related to or classified as flavonoids .


The molecule <smiles>CC1N[C@@H](CC2=C1NC1=C2C=CC=C1)C(=O)N\N=C\C1=CC=C(Cl)C=C1</smiles> <smiles>CC1N[C@@H](CC2=C1NC1=C2C=CC=C1)C(=O)N\N=C\C1=CC=C(Cl)C=C1</smiles> is chloroinconazide. It has the role of antiviral agent . It has the role of fungicide . It is also related to or classified as carbohydrazide  . It is also related to or classified as beta-carbolines , monochlorobenzenes .


The molecule <smiles>OC(=O)C(F)F</smiles> <smiles>OC(=O)C(F)F</smiles> is A monocarboxylic acid that is acetic acid in which two of the methyl hydrogens are substituted by fluorines. Its functional parent is acetic acid . It is a conjugate acid of difluoroacetate .  It is also related to or classified as organofluorine compound  . It is also related to or classified as monocarboxylic acid .


The molecule <smiles>[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC(=O)[C@@]4([H])CC(=O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)[C@@H](O)[C@H](O)[C@@H](C)C(C)C</smiles> <smiles>[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC(=O)[C@@]4([H])CC(=O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)[C@@H](O)[C@H](O)[C@@H](C)C(C)C</smiles> is 3-dehydroteasterone. Its functional parent is teasterone . It is also related to or classified as 3-oxo-5alpha-steroid  . It is also related to or classified as (22S)-22-hydroxy C28-steroid  . It is also related to or classified as 23-hydroxy steroid , 6-oxo steroid , 22-hydroxy steroid .


The molecule <smiles>C[C@H](CCCCCCCCCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)N2C=NC3=C(N)N=CN=C23)O[C@@H]4O[C@@H](C)[C@H](O)C[C@H]4O</smiles> <smiles>C[C@H](CCCCCCCCCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)N2C=NC3=C(N)N=CN=C23)O[C@@H]4O[C@@H](C)[C@H](O)C[C@H]4O</smiles> is conjugate base of bkas#30-CoA. It is also related to or classified as organic molecular entity .


The molecule <smiles>OC(C(OC(=O)/C=C/C1=CC(OC)=C(O)C=C1)C(O)=O)(CC(O)=O)C(O)=O</smiles> <smiles>OC(C(OC(=O)/C=C/C1=CC(OC)=C(O)C=C1)C(O)=O)(CC(O)=O)C(O)=O</smiles> is 2-Feruloylhydroxycitric acid. Its functional parent is tetracarboxylic acid . It is also related to or classified as organooxygen compound .


The molecule <smiles>[H][C@@]12C[C@@]3([H])C(=CN1CCC1=C2NC2=C1C=CC=C2)[C@H](C)OC=C3C(=O)OC</smiles> <smiles>[H][C@@]12C[C@@]3([H])C(=CN1CCC1=C2NC2=C1C=CC=C2)[C@H](C)OC=C3C(=O)OC</smiles> is A yohimban alkaloid with formula C21H22N2O3, produced by Catharanthus roseus and Rauvolfia serpentina plant species. It has the role of plant metabolite . It is also related to or classified as methyl ester  . It is also related to or classified as yohimban alkaloid , organic heteropentacyclic compound .


The molecule <smiles>CC1(C)[C@H]2CC[C@H](C2)C1=C</smiles> <smiles>CC1(C)[C@H]2CC[C@H](C2)C1=C</smiles> is A camphene (2,2-dimethyl-3-methylenebicyclo[2.2.1]heptane) that has S configuration at position 1 and R configuration at position 4. It is also related to or classified as camphene  .


The molecule <smiles>C[C@H](CCCCCCCCCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N2C=NC3=C(N)N=CN=C23)O[C@@H]4O[C@@H](C)[C@H](O)C[C@H]4O</smiles> <smiles>C[C@H](CCCCCCCCCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N2C=NC3=C(N)N=CN=C23)O[C@@H]4O[C@@H](C)[C@H](O)C[C@H]4O</smiles> is coA ester of bkas#30. It is also related to or classified as organic molecular entity .


The molecule <smiles>C(CCN)CC(C(=O)NC(CC(=O)N)C(=O)O)NC(=O)C(CCCNC(=N)N)NC(=O)C(CCCNC(=N)N)NC(=O)C(CS)NC(=O)C(CCC(=O)N)NC(=O)C(CS)NC(=O)C(CCCNC(=N)N)NC(=O)C(CCCNC(=N)N)NC(=O)C(CCCNC(=N)N)NC(=O)C(CCCNC(=N)N)NC(=O)C(CCCNC(=N)N)NC(=O)C(CCCNC(=N)N)NC(=O)C(CCCNC(=N)N)NC(=O)C(CCCNC(=N)N)NC(=O)C(CCCNC(=N)N)N.C(=O)(C(F)(F)F)O</smiles> <smiles>C(CCN)CC(C(=O)NC(CC(=O)N)C(=O)O)NC(=O)C(CCCNC(=N)N)NC(=O)C(CCCNC(=N)N)NC(=O)C(CS)NC(=O)C(CCC(=O)N)NC(=O)C(CS)NC(=O)C(CCCNC(=N)N)NC(=O)C(CCCNC(=N)N)NC(=O)C(CCCNC(=N)N)NC(=O)C(CCCNC(=N)N)NC(=O)C(CCCNC(=N)N)NC(=O)C(CCCNC(=N)N)NC(=O)C(CCCNC(=N)N)NC(=O)C(CCCNC(=N)N)NC(=O)C(CCCNC(=N)N)N.C(=O)(C(F)(F)F)O</smiles> is gO-203 is a D-amino acid cell-penetrating peptide inhibitor of MUC1-C dimerization and thereby its oncogenic function. (SelleckChem). It is also related to or classified as organic molecular entity .


The molecule <smiles>O1C(C(O)C(O)C(O)C1OC=2C=C(CCC(=O)C3=C(O)C=CC(O)=C3)C=CC2)C(O)=O</smiles> <smiles>O1C(C(O)C(O)C(O)C1OC=2C=C(CCC(=O)C3=C(O)C=CC(O)=C3)C=CC2)C(O)=O</smiles> is 6-{3-[3-(2,5-dihydroxyphenyl)-3-oxopropyl]phenoxy}-3,4,5-trihydroxyoxane-2-carboxylic acid. It is also related to or classified as glycoside  . It is also related to or classified as flavonoids .


The molecule <smiles>CC1(C)C2CCC(C2)C1=C</smiles> <smiles>CC1(C)C2CCC(C2)C1=C</smiles> is A monoterpene with a bicyclic skeleton that is bicyclo[2.2.1]heptane substituted by geminal methyl groups at position 2 and a methylidene group at position 3. It is a widespread natural product found in many essential oils. It has the role of fragrance . It has the role of plant metabolite . It is also related to or classified as monoterpene  . It is also related to or classified as carbobicyclic compound .


The molecule <smiles>COC1=CC(=O)N(C)[C@@H](O)[C@@]1(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C#N</smiles> <smiles>COC1=CC(=O)N(C)[C@@H](O)[C@@]1(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C#N</smiles> is A member of the class of tetrahydropyridines that is 2,3-dihydroxy-4-methoxy-1-methyl-6-oxo-1,2,3,6-tetrahydropyridine-3-carbonitrile having a beta-D-glucosyl residue attached at position 3 via a glycosidic bond. It has the role of plant metabolite . It is also related to or classified as beta-D-glucoside  .  It is also related to or classified as enol ether  . It is also related to or classified as delta-lactam  . It is also related to or classified as aliphatic nitrile  . It is also related to or classified as tetrahydropyridine .


The molecule <smiles>C[C@H](CCCCCCCCCCCCC(=O)CC([O-])=O)O[C@@H]1O[C@@H](C)[C@H](O)C[C@H]1O</smiles> <smiles>C[C@H](CCCCCCCCCCCCC(=O)CC([O-])=O)O[C@@H]1O[C@@H](C)[C@H](O)C[C@H]1O</smiles> is conjugate base of bkas#30. It is also related to or classified as organic molecular entity .


The molecule <smiles>CC1(C)[C@@H]2CC[C@@H](C2)C1=C</smiles> <smiles>CC1(C)[C@@H]2CC[C@@H](C2)C1=C</smiles> is A camphene (2,2-dimethyl-3-methylenebicyclo[2.2.1]heptane) that has R configuration at position 1 and S configuration at position 4. It is also related to or classified as camphene  .


The molecule <smiles>O1C([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)CO[C@@H]5OC([C@H](O)[C@H](O)C5O)C</smiles> <smiles>O1C([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)CO[C@@H]5OC([C@H](O)[C@H](O)C5O)C</smiles> is Luteolin rutinoside. It is also related to or classified as glycoside  . It is also related to or classified as flavonoids .


The molecule <smiles>COC(=O)CCCCC(=O)OC</smiles> <smiles>COC(=O)CCCCC(=O)OC</smiles> is Dimethyl adipate. It is also related to or classified as fatty acid methyl ester  .


The molecule <smiles>C1=CC=C2C(=C1)[C@]34CC[NH+]5CC6=CCOC([C@]([C@]6(C[C@@]35[H])[H])([C@@]4(N2C(CC([O-])=O)=O)[H])[H])O</smiles> <smiles>C1=CC=C2C(=C1)[C@]34CC[NH+]5CC6=CCOC([C@]([C@]6(C[C@@]35[H])[H])([C@@]4(N2C(CC([O-])=O)=O)[H])[H])O</smiles> is major microspecies at pH 7.3. It is also related to or classified as primary alcohol  . It is also related to or classified as zwitterion  . It is also related to or classified as organic heterohexacyclic compound , indole alkaloid cation .


The molecule <smiles>C[C@H](CCCCCCCCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)N2C=NC3=C(N)N=CN=C23)O[C@@H]4O[C@@H](C)[C@H](O)C[C@H]4O</smiles> <smiles>C[C@H](CCCCCCCCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)N2C=NC3=C(N)N=CN=C23)O[C@@H]4O[C@@H](C)[C@H](O)C[C@H]4O</smiles> is conjugate base of bkas#28-CoA. It is also related to or classified as organic molecular entity .


The molecule <smiles>O=C(NCN)C[C@H](N)CCCN</smiles> <smiles>O=C(NCN)C[C@H](N)CCCN</smiles> is Bellenamine. Its functional parent is beta-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .


The molecule <smiles>[H]P(O)(=O)OP([H])([O-])=O</smiles> <smiles>[H]P(O)(=O)OP([H])([O-])=O</smiles> is A monovalent inorganic anion obtained by deprotonation of one of the two OH groups in diphosphoniic acid. It is a conjugate acid of diphosphonate(2-) . It is also related to or classified as phosphorus oxoanion , monovalent inorganic anion .


The molecule <smiles>O=C1N([C@H](C(=O)O[C@H]([C@@H]([C@H](OC(=O)C)[C@H](C=C([C@H]([C@@H](C=C1)C)OC(=O)C)C)C)C)C)CC2=CC=CC=C2)C</smiles> <smiles>O=C1N([C@H](C(=O)O[C@H]([C@@H]([C@H](OC(=O)C)[C@H](C=C([C@H]([C@@H](C=C1)C)OC(=O)C)C)C)C)C)CC2=CC=CC=C2)C</smiles> is Torrubiellutin B. It is also related to or classified as lactam  . It is also related to or classified as macrolide  .


The molecule <smiles>C[C@H](CCCCCCCCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N2C=NC3=C(N)N=CN=C23)O[C@@H]4O[C@@H](C)[C@H](O)C[C@H]4O</smiles> <smiles>C[C@H](CCCCCCCCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N2C=NC3=C(N)N=CN=C23)O[C@@H]4O[C@@H](C)[C@H](O)C[C@H]4O</smiles> is coA ester of bkas#28. It is also related to or classified as organic molecular entity .


The molecule <smiles>O=C1N2[C@H](C(=O)N[C@H]1CCCN=C(N)N)CCC2</smiles> <smiles>O=C1N2[C@H](C(=O)N[C@H]1CCCN=C(N)N)CCC2</smiles> is CI-4. 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](CCCCCCCCCCCC(=O)CC([O-])=O)O[C@@H]1O[C@@H](C)[C@H](O)C[C@H]1O</smiles> <smiles>C[C@H](CCCCCCCCCCCC(=O)CC([O-])=O)O[C@@H]1O[C@@H](C)[C@H](O)C[C@H]1O</smiles> is conjugate base of bkas#28. It is also related to or classified as organic molecular entity .


The molecule <smiles>[O-]C(=O)C(F)F</smiles> <smiles>[O-]C(=O)C(F)F</smiles> is A monocarboxylic acid anion that is obtained by removal of a proton from the carboxylic acid group of difluoroacetic acid. Its functional parent is acetate . It is also related to or classified as monocarboxylic acid anion  . It is also related to or classified as organofluorine compound  .


The molecule <smiles>C(\C=1N=C(NC1)SC)=C/C(=O)[O-]</smiles> <smiles>C(\C=1N=C(NC1)SC)=C/C(=O)[O-]</smiles> is major microspecies at pH 7.3. It is also related to or classified as organic sulfide  . It is also related to or classified as urocanate  .


The molecule <smiles>O=C1C2=C(O)C=3C(=C(OC)C(C)=CC3)C=C2C(=O)C4=C1C=C(C)C=C4O</smiles> <smiles>O=C1C2=C(O)C=3C(=C(OC)C(C)=CC3)C=C2C(=O)C4=C1C=C(C)C=C4O</smiles> is M-13-1. It is also related to or classified as quinone  . It is also related to or classified as tetracenes .


The molecule <smiles>Oc1ccccc1C([O-])=O.C[NH+](C)CCOC(c1ccccc1)c1ccccc1</smiles> <smiles>Oc1ccccc1C([O-])=O.C[NH+](C)CCOC(c1ccccc1)c1ccccc1</smiles> is the salicylic acid salt of diphenhydramine. It has the role of sedative . It has the role of H1-receptor antagonist . It has the role of muscarinic antagonist . It has the role of anti-allergic agent . It has the role of antiemetic . It is also related to or classified as salicylates , organoammonium salt .


The molecule <smiles>CC(\C=C\[C@]1(O)[C@@]2(C)CO[C@]1(C)C[C@H](C2)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)=C\C(O)=O</smiles> <smiles>CC(\C=C\[C@]1(O)[C@@]2(C)CO[C@]1(C)C[C@H](C2)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)=C\C(O)=O</smiles> is dihydrophaseic acid 4-O-beta-D-glucoside. Its functional parent is phaseic acid . It is also related to or classified as beta-D-glucoside  .


The molecule <smiles>C[C@H](CCCCCCCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)N2C=NC3=C(N)N=CN=C23)O[C@@H]4O[C@@H](C)[C@H](O)C[C@H]4O</smiles> <smiles>C[C@H](CCCCCCCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)N2C=NC3=C(N)N=CN=C23)O[C@@H]4O[C@@H](C)[C@H](O)C[C@H]4O</smiles> is conjugate base of bkas#26-CoA. It is also related to or classified as organic molecular entity .


The molecule <smiles>[H][C@]12CC[C@@]3([H])[C@]4([H])CCC5CCCC[C@]5(C)[C@@]4([H])CC[C@]13CN(C)[C@H]2C</smiles> <smiles>[H][C@]12CC[C@@]3([H])[C@]4([H])CCC5CCCC[C@]5(C)[C@@]4([H])CC[C@]13CN(C)[C@H]2C</smiles> is conanine. It is also related to or classified as steroid  . It is also related to or classified as steroid alkaloid fundamental parent .


The molecule <smiles>O=[N+]([O-])/C(=C(/C=C/C=C/C=C(\[C@@H](O)C(C(=O)NC/C=C/C=C/[C@H](O)[C@@H](C[C@H](OC)[C@@]1(O)[C@]2(N(C)C([C@@H]1C)=O)C(=O)O[C@@H]2C)C)(C)C)/C)\C)/C</smiles> <smiles>O=[N+]([O-])/C(=C(/C=C/C=C/C=C(\[C@@H](O)C(C(=O)NC/C=C/C=C/[C@H](O)[C@@H](C[C@H](OC)[C@@]1(O)[C@]2(N(C)C([C@@H]1C)=O)C(=O)O[C@@H]2C)C)(C)C)/C)\C)/C</smiles> is Lajollamycin D. Its functional parent is alpha-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .


The molecule <smiles>O1C([C@@H](O)C(O)C(O)[C@@H]1OC=2C=C(C=CC2OC)C=3OC=4C(C(=O)C3)=C(O)C=C(O)C4)CO</smiles> <smiles>O1C([C@@H](O)C(O)C(O)[C@@H]1OC=2C=C(C=CC2OC)C=3OC=4C(C(=O)C3)=C(O)C=C(O)C4)CO</smiles> is Diosmetin glucoside. It is also related to or classified as glycoside  . It is also related to or classified as flavonoids .


The molecule <smiles>C[C@H](CCCCCCCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N2C=NC3=C(N)N=CN=C23)O[C@@H]4O[C@@H](C)[C@H](O)C[C@H]4O</smiles> <smiles>C[C@H](CCCCCCCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N2C=NC3=C(N)N=CN=C23)O[C@@H]4O[C@@H](C)[C@H](O)C[C@H]4O</smiles> is coA ester of bkas#26. It is also related to or classified as organic molecular entity .


The molecule <smiles>O=C(O)/C=C/C=C/[C@H]1O[C@@H](C(=C)[C@H]2[C@@H]([C@@H]1O)[C@H]3[C@@H](CC(C)=CC3)C=C2C)[C@@H](CC)C</smiles> <smiles>O=C(O)/C=C/C=C/[C@H]1O[C@@H](C(=C)[C@H]2[C@@H]([C@@H]1O)[C@H]3[C@@H](CC(C)=CC3)C=C2C)[C@@H](CC)C</smiles> is Pyrenulic acid G. It is also related to or classified as medium-chain fatty acid  .


The molecule <smiles>C1[C@@]2([NH+]3CC[C@@]42[C@]5(N(C=6C4=CC(=CC6)O)C(C[C@]7([C@@]5([C@@]1(C(=CCO7)C3)[H])[H])[H])=O)[H])[H]</smiles> <smiles>C1[C@@]2([NH+]3CC[C@@]42[C@]5(N(C=6C4=CC(=CC6)O)C(C[C@]7([C@@]5([C@@]1(C(=CCO7)C3)[H])[H])[H])=O)[H])[H]</smiles> is major microspecies at pH 7.3. It is also related to or classified as indole alkaloid cation .


The molecule <smiles>C(CCC1CO1)CC1CO1</smiles> <smiles>C(CCC1CO1)CC1CO1</smiles> is 1,2:7,8-diepoxyoctane. It has the role of mutagen . It is also related to or classified as epoxide  .


The molecule <smiles>O=C1C2=C(O)C3=C(OC)C=C(OC)C=C3C=C2O[C@H](C1)C</smiles> <smiles>O=C1C2=C(O)C3=C(OC)C=C(OC)C=C3C=C2O[C@H](C1)C</smiles> is (2S)-5-hydroxy-6,8-dimethoxy-2-methyl-4H-2,3-dihydronaphtho[2,3-b]pyran-4-one. It is also related to or classified as organic heterotricyclic compound , organooxygen compound .


The molecule <smiles>C[C@H](CCCCCCCCCCC(=O)CC([O-])=O)O[C@@H]1O[C@@H](C)[C@H](O)C[C@H]1O</smiles> <smiles>C[C@H](CCCCCCCCCCC(=O)CC([O-])=O)O[C@@H]1O[C@@H](C)[C@H](O)C[C@H]1O</smiles> is conjugate base of bkas#26. It is also related to or classified as organic molecular entity .


The molecule <smiles>O1C(C(O)C(O)C(O)C1OC=2C=C3OC(=CC(=O)C3=C(O)C2)C4=CC(O)=C(OC)C=C4)COC5OC(C(O)C(O)C5O)C</smiles> <smiles>O1C(C(O)C(O)C(O)C1OC=2C=C3OC(=CC(=O)C3=C(O)C2)C4=CC(O)=C(OC)C=C4)COC5OC(C(O)C(O)C5O)C</smiles> is Diosmetin rutinoside. It is also related to or classified as glycoside  . It is also related to or classified as flavonoids .


The molecule <smiles>[NH3+]CCC([O-])=O</smiles> <smiles>[NH3+]CCC([O-])=O</smiles> is zwitterionic form of beta-alanine arising from transfer of a proton from the carboxy to the amino group; major species at pH 7.3. It is also related to or classified as amino-acid zwitterion .


The molecule <smiles>O=C1C=2OC3C(=O)C(=C(O)C(C3(C(=O)O)CC2C(=O)C=4C1=C(O)C=CC4)OC)C(=O)C</smiles> <smiles>O=C1C=2OC3C(=O)C(=C(O)C(C3(C(=O)O)CC2C(=O)C=4C1=C(O)C=CC4)OC)C(=O)C</smiles> is Mutaxanthene C. It is also related to or classified as organic heterotricyclic compound , organooxygen compound .


The molecule <smiles>C[C@H](CCCCCCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)N2C=NC3=C(N)N=CN=C23)O[C@@H]4O[C@@H](C)[C@H](O)C[C@H]4O</smiles> <smiles>C[C@H](CCCCCCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)N2C=NC3=C(N)N=CN=C23)O[C@@H]4O[C@@H](C)[C@H](O)C[C@H]4O</smiles> is conjugate base of bkas#24-CoA. It is also related to or classified as organic molecular entity .


The molecule <smiles>C[C@@H]1O[C@H](OP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2cnc3c2nc(N)[nH]c3=O)[C@@H](O)[C@H](O)C1=O</smiles> <smiles>C[C@@H]1O[C@H](OP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2cnc3c2nc(N)[nH]c3=O)[C@@H](O)[C@H](O)C1=O</smiles> is A GDP-4-dehydro-L-fucose in which the anomeric centre of the fucose portion has beta-configuration. An intermediate formed during the de novo synthesis of GDP-L-fucose. It has the role of mammalian metabolite . It is also related to or classified as GDP-4-dehydro-L-fucose  .


The molecule <smiles>O=C1N[C@H](C(=O)N[C@H]1CC=2C3=C(C=CC=C3)NC2)CC=4C5=C(C=CC=C5)NC4</smiles> <smiles>O=C1N[C@H](C(=O)N[C@H]1CC=2C3=C(C=CC=C3)NC2)CC=4C5=C(C=CC=C5)NC4</smiles> is Cyclo-(L-Trp-L-Trp). Its functional parent is alpha-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .


The molecule <smiles>O1C([C@@H](O)[C@H](O)[C@@H](O)[C@@H]1OC2=C(OC=3C(C2=O)=C(O)C=C(O)C3)C4=CC(OC)=C(O)C=C4)CO[C@@H]5O[C@H]([C@H](O)[C@@H](O)[C@H]5O)C</smiles> <smiles>O1C([C@@H](O)[C@H](O)[C@@H](O)[C@@H]1OC2=C(OC=3C(C2=O)=C(O)C=C(O)C3)C4=CC(OC)=C(O)C=C4)CO[C@@H]5O[C@H]([C@H](O)[C@@H](O)[C@H]5O)C</smiles> is Isorhamnetin rutinoside. It is also related to or classified as glycoside  . It is also related to or classified as flavonoids .


The molecule <smiles>C[C@H](CCCCCCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N2C=NC3=C(N)N=CN=C23)O[C@@H]4O[C@@H](C)[C@H](O)C[C@H]4O</smiles> <smiles>C[C@H](CCCCCCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N2C=NC3=C(N)N=CN=C23)O[C@@H]4O[C@@H](C)[C@H](O)C[C@H]4O</smiles> is coA ester of bkas#24. It is also related to or classified as organic molecular entity .


The molecule <smiles>ONC1=CC=C(C=C1)C(O)=O</smiles> <smiles>ONC1=CC=C(C=C1)C(O)=O</smiles> is A member of the class of benzoic acids that is benzoic acid substituted by a hydroxyamino group at position 4. Its functional parent is 4-aminobenzoic acid . It is a conjugate acid of 4-(hydroxyamino)benzoate . It is also related to or classified as benzoic acids , hydroxylamines , monocarboxylic acid .


The molecule <smiles>O=C(OC)C1=C(C=C(/C=C/C)N=C1)/C=C(/C(=O)C)\CC(=O)CCCCC</smiles> <smiles>O=C(OC)C1=C(C=C(/C=C/C)N=C1)/C=C(/C(=O)C)\CC(=O)CCCCC</smiles> is Monasnicotinate A. It is also related to or classified as pyridines , aromatic carboxylic acid .


The molecule <smiles>C[C@H](CCCCCCCCCC(=O)CC([O-])=O)O[C@@H]1O[C@@H](C)[C@H](O)C[C@H]1O</smiles> <smiles>C[C@H](CCCCCCCCCC(=O)CC([O-])=O)O[C@@H]1O[C@@H](C)[C@H](O)C[C@H]1O</smiles> is conjugate base of bkas#24. It is also related to or classified as organic molecular entity .


The molecule <smiles>O=C1C2=C(O)C3=C(C(OC4OC(C(OC5OC(C(OC6OC(C(OC7OC(C(OC8OC(C(O)CC8)C)CC7)C)C(C6)O)C)C(C5)N(C)C)C)C(C4)N(C)C)C)[C@@](O)(CC)CC3)C(=C2C(=O)C=9C1=C(O)C=CC9)O</smiles> <smiles>O=C1C2=C(O)C3=C(C(OC4OC(C(OC5OC(C(OC6OC(C(OC7OC(C(OC8OC(C(O)CC8)C)CC7)C)C(C6)O)C)C(C5)N(C)C)C)C(C4)N(C)C)C)[C@@](O)(CC)CC3)C(=C2C(=O)C=9C1=C(O)C=CC9)O</smiles> is Roseorubicin A. It is also related to or classified as quinone  . It is also related to or classified as tetracenes .


The molecule <smiles>N[C@]1(C[C@H](F)C1)C(O)=O</smiles> <smiles>N[C@]1(C[C@H](F)C1)C(O)=O</smiles> is A member of the class of cyclobutanes that is cyclobutane which carries a carboxy, amino and fluoro groups at positions 1, 1 and 3, respectively (the 1r,3r-stereoisomer).    It is also related to or classified as alpha-amino acid  . It is also related to or classified as cyclobutanes , fluoroamino acid , monocarboxylic acid , primary amino compound .


The molecule <smiles>CN1CCCC(CC1)n1nc(Cc2ccc(Cl)cc2)c2ccccc2c1=O</smiles> <smiles>CN1CCCC(CC1)n1nc(Cc2ccc(Cl)cc2)c2ccccc2c1=O</smiles> is A phthalazine compound having an oxo substituent at the 1-position, a 1-methylazepan-4-yl group at the 2-position and a 4-chlorobenzyl substituent at the 4-position. It has the role of bronchodilator agent . It has the role of H1-receptor antagonist . It has the role of anti-asthmatic drug . It has the role of platelet aggregation inhibitor . It has the role of anti-allergic agent . It has the role of EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor . It is also related to or classified as phthalazines , tertiary amino compound , monochlorobenzenes .


The molecule <smiles>ClC1=C(O)C(Cl)=C2C(C=3C=C4CC5(OC6=C(C(C4=C(C3C(C2=C1O)=O)O)O5)C(=CC(=C6)OC)C)C)(C)C</smiles> <smiles>ClC1=C(O)C(Cl)=C2C(C=3C=C4CC5(OC6=C(C(C4=C(C3C(C2=C1O)=O)O)O5)C(=CC(=C6)OC)C)C)(C)C</smiles> is Bischloroanthrabenzoxocinone. It is also related to or classified as organic heterotricyclic compound , organooxygen compound .


The molecule <smiles>C[C@H](CCCCCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)N2C=NC3=C(N)N=CN=C23)O[C@@H]4O[C@@H](C)[C@H](O)C[C@H]4O</smiles> <smiles>C[C@H](CCCCCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)N2C=NC3=C(N)N=CN=C23)O[C@@H]4O[C@@H](C)[C@H](O)C[C@H]4O</smiles> is conjugate base of bkas#22-CoA. It is also related to or classified as organic molecular entity .


The molecule <smiles>O=Cc1ccco1</smiles> <smiles>O=Cc1ccco1</smiles> is an aldehyde that is furan with the hydrogen at position 2 substituted by a formyl group. It has the role of metabolite . It has the role of Maillard reaction product . Its functional parent is furan . It is also related to or classified as aldehyde  . It is also related to or classified as furans .


The molecule <smiles>OC1C(OC2=C(C=CC(O)=C2)C1=O)C1=CC=C(O)C(O)=C1</smiles> <smiles>OC1C(OC2=C(C=CC(O)=C2)C1=O)C1=CC=C(O)C(O)=C1</smiles> is A dihydroflavonol that is the 2,3-dihydro derivative of fisetin. It has the role of antiviral agent . It has the role of plant metabolite . Its functional parent is fisetin . It is also related to or classified as 4'-hydroxyflavanones  . It is also related to or classified as secondary alpha-hydroxy ketone  .  It is also related to or classified as dihydroflavonols  . It is also related to or classified as tetrahydroxyflavanone .


The molecule <smiles>C[C@H](CCCCCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N2C=NC3=C(N)N=CN=C23)O[C@@H]4O[C@@H](C)[C@H](O)C[C@H]4O</smiles> <smiles>C[C@H](CCCCCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N2C=NC3=C(N)N=CN=C23)O[C@@H]4O[C@@H](C)[C@H](O)C[C@H]4O</smiles> is coA ester of bkas#22. It is also related to or classified as organic molecular entity .


The molecule <smiles>[Cu+3]</smiles> <smiles>[Cu+3]</smiles> is copper(3+).  It is also related to or classified as monoatomic trication  . It is also related to or classified as copper cation .


The molecule <smiles>OC(C(O)/C=C/C(=O)CCCCCCCC(O)=O)C/C=C\CC</smiles> <smiles>OC(C(O)/C=C/C(=O)CCCCCCCC(O)=O)C/C=C\CC</smiles> is Oxo-dihydroxy-octadecadienoic acid. It is also related to or classified as hydroxy fatty acid , octadecanoid , oxo fatty acid .


The molecule <smiles>[H][C@](O)(C(O)=O)C([H])(O)[C@@]([H])(O)C(O)=O</smiles> <smiles>[H][C@](O)(C(O)=O)C([H])(O)[C@@]([H])(O)C(O)=O</smiles> is L-arabinaric acid. It is a conjugate acid of L-arabinarate(1-) . It is also related to or classified as arabinaric acid .


The molecule <smiles>NCCC([O-])=O</smiles> <smiles>NCCC([O-])=O</smiles> is A beta-amino-acid anion that is the conjugate base of beta-alanine. It has the role of fundamental metabolite . It is also related to or classified as beta-amino-acid anion .


The molecule <smiles>O=C1O[C@](C(=O)OC)(CC2=CC(=C(O)C=C2)C[C@@H](O)C(O)(C)C)C(=C1O)C3=CC=CC=C3</smiles> <smiles>O=C1O[C@](C(=O)OC)(CC2=CC(=C(O)C=C2)C[C@@H](O)C(O)(C)C)C(=C1O)C3=CC=CC=C3</smiles> is 8''R,9''-diol versicolactone B. It is also related to or classified as fatty acid ester  .


The molecule <smiles>C[C@H](CCCCCCCCC(=O)CC([O-])=O)O[C@@H]1O[C@@H](C)[C@H](O)C[C@H]1O</smiles> <smiles>C[C@H](CCCCCCCCC(=O)CC([O-])=O)O[C@@H]1O[C@@H](C)[C@H](O)C[C@H]1O</smiles> is conjugate base of bkas#22. It is also related to or classified as organic molecular entity .


The molecule <smiles>S([C@@]1(N(C(=O)[C@]2(SC)C[C@@]3([C@H](N2C1=O)[C@@H](OC(=O)C)C(=O)C=C3)O)C)CO)C</smiles> <smiles>S([C@@]1(N(C(=O)[C@]2(SC)C[C@@]3([C@H](N2C1=O)[C@@H](OC(=O)C)C(=O)C=C3)O)C)CO)C</smiles> is Geospallin C. Its functional parent is alpha-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .


The molecule <smiles>CN(C)CCOC(c1ccccc1)c1ccccc1</smiles> <smiles>CN(C)CCOC(c1ccccc1)c1ccccc1</smiles> is an ether that is the benzhydryl ether of 2-(dimethylamino)ethanol. It is a H1-receptor antagonist used as a antipruritic and antitussive drug. It has the role of oneirogen . It has the role of sedative . It has the role of local anaesthetic . It has the role of H1-receptor antagonist . It has the role of antiparkinson drug . It has the role of muscarinic antagonist . It has the role of anti-allergic agent . It has the role of antiemetic . It has the role of antitussive . It has the role of antipruritic drug . It has the role of antidyskinesia agent . It is also related to or classified as ether  . It is also related to or classified as tertiary amino compound .


The molecule <smiles>O[C@@H]1COC(O)(COP(O)(O)=O)[C@@H](O)[C@@H]1O</smiles> <smiles>O[C@@H]1COC(O)(COP(O)(O)=O)[C@@H](O)[C@@H]1O</smiles> is D-fructopyranose 1-phosphate. Its functional parent is D-fructopyranose . It is also related to or classified as keto-D-fructose 1-phosphate  .


The molecule <smiles>CC(C)=CCc1cc(\C=C\C(=O)c2ccc(O)cc2O)cc(CC=C(C)C)c1O</smiles> <smiles>CC(C)=CCc1cc(\C=C\C(=O)c2ccc(O)cc2O)cc(CC=C(C)C)c1O</smiles> is A member of the class of chalcones that is isolated from the stem of Erythrina abyssinica. It has the role of plant metabolite . It is also related to or classified as chalcones  . It is also related to or classified as polyphenol , resorcinols .


The molecule <smiles>C1OC1C1CO1</smiles> <smiles>C1OC1C1CO1</smiles> is diepoxybutane. It has the role of mutagen . It is also related to or classified as epoxide  .


The molecule <smiles>C[C@H](CCCCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)N2C=NC3=C(N)N=CN=C23)O[C@@H]4O[C@@H](C)[C@H](O)C[C@H]4O</smiles> <smiles>C[C@H](CCCCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)N2C=NC3=C(N)N=CN=C23)O[C@@H]4O[C@@H](C)[C@H](O)C[C@H]4O</smiles> is conjugate base of bkas#20-CoA. It is also related to or classified as organic molecular entity .


The molecule <smiles>S1[C@]2(NC(=O)[C@]3(OC=4C(OC)=C(OC)C=CC4[C@H]3SC)N(C2=O)C)C[C@@]5([C@@H]1C=C[C@@H](O)[C@@H]5O)O</smiles> <smiles>S1[C@]2(NC(=O)[C@]3(OC=4C(OC)=C(OC)C=CC4[C@H]3SC)N(C2=O)C)C[C@@]5([C@@H]1C=C[C@@H](O)[C@@H]5O)O</smiles> is Penispirozine B. Its functional parent is alpha-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .


The molecule <smiles>Clc1ccc2CCNCc2c1Cl</smiles> <smiles>Clc1ccc2CCNCc2c1Cl</smiles> is A 1,2,3,4-tetrahydroisoquinoline hacing chloro substituents at the 7- and 8-positions.  It is also related to or classified as organochlorine compound  . It is also related to or classified as isoquinolines .


The molecule <smiles>C1=C(C=C2C(=C1OC)O[C@H]([C@@H]2CO)C3=CC=C(C(=C3)OC)O)/C=C/C(O)=O</smiles> <smiles>C1=C(C=C2C(=C1OC)O[C@H]([C@@H]2CO)C3=CC=C(C(=C3)OC)O)/C=C/C(O)=O</smiles> is A member of the class of 1-benzofurans that is a lignan obtained by cyclodimerisation of ferulic acid. It is isolated from several plants including spearmint. It has the role of plant metabolite . It has the role of bacterial xenobiotic metabolite . Its functional parent is trans-ferulic acid . It is a conjugate acid of glycosmisate . It is also related to or classified as glycosmisic acid  .


The molecule <smiles>SSS[S-]</smiles> is a sulfur hydride. It is a conjugate base of a tetrasulfane. It is a conjugate acid of a tetrasulfide(2-).


The molecule <smiles>C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)OC2=CC3=CC=CC=C3C=C2)O)O)O</smiles> is an alpha-L-fucoside that is alpha-L-fucopyranose in which the anomeric hydroxy hydrogen is replaced by a 2-naphthyl group. It has a role as a chromogenic compound. It is an alpha-L-fucoside and a member of naphthalenes. It derives from a 2-naphthol.


The molecule <smiles>C1=C(C=C2C(=C1OC)O[C@H]([C@@H]2C=O)C3=CC=C(C(=C3)OC)O)/C=C/C(O)=O</smiles> <smiles>C1=C(C=C2C(=C1OC)O[C@H]([C@@H]2C=O)C3=CC=C(C(=C3)OC)O)/C=C/C(O)=O</smiles> is A member of the class of 1-benzofurans that is a lignan obtained by cyclodimerisation of ferulic acid. It has the role of bacterial xenobiotic metabolite . Its functional parent is trans-ferulic acid . It is a conjugate acid of (-)-DCA-CL(1-) . It is also related to or classified as guaiacols  . It is also related to or classified as aldehyde  . It is also related to or classified as lignan  . It is also related to or classified as 1-benzofurans , alpha,beta-unsaturated monocarboxylic acid .


The molecule <smiles>[B-]1(N2C(=CC(=C2C=C3[N+]1=C(C=C3)CCC(=O)O)C)C)(F)F</smiles> is a BODIPY dye and a monocarboxylic acid. It has a role as a fluorochrome. It derives from a 4,4-difluoro-4-bora-3a,4a-diaza-s-indacene.


The molecule <smiles>NOCC(O)=O</smiles> <smiles>NOCC(O)=O</smiles> is A member of the class of hydroxylamines that is acetic acid substituted at postion 2 by an aminooxy group. It is a compound which inhibits aminobutyrate aminotransferase activity in vivo, resulting in increased levels of gamma-aminobutyric acid in tissues. It has the role of anticonvulsant . It has the role of EC 4.2.1.22 (cystathionine beta-synthase) inhibitor . It has the role of EC 2.6.1.19 (4-aminobutyrate--2-oxoglutarate transaminase) inhibitor . It has the role of nootropic agent . It is a conjugate acid of (aminooxy)acetate . It is also related to or classified as hydroxylamines , monocarboxylic acid , amino acid .


The molecule <smiles>[O-]P(=O)([O-])[O-]</smiles> is a phosphate ion that is the conjugate base of hydrogenphosphate. It is a phosphate ion and a trivalent inorganic anion. It is a conjugate base of a hydrogenphosphate.


The molecule <smiles>N[C@H]1C[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O</smiles> <smiles>N[C@H]1C[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O</smiles> is an amino cyclitol consisting of 1D-chiro-inositol lacking the 6-hydroxy group and having those at positions 1 and 5 replaced by amino and hydroxymethyl groups respectively. Its functional parent is 1D-chiro-inositol . It is also related to or classified as amino cyclitol .


The molecule <smiles>C(CC(=O)N)[C@H](C(=O)[O-])N</smiles> is an optically active form of glutaminate having D-configuration. It is a conjugate base of a D-glutamine. It is an enantiomer of a L-glutaminate.


The molecule <smiles>CCCCCCCCCCC[C@H](CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1OP(=O)(O)O)CO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO[C@@]3(C[C@H]([C@H]([C@H](O3)[C@@H](CO)O)O)O[C@@]4(C[C@H]([C@H]([C@H](O4)[C@@H](CO)OP(=O)(O)OCCN)O)O)C(=O)O)C(=O)O)OP(=O)(O)O)OC(=O)C[C@@H](CCCCCCCCCCC)O)NC(=O)C[C@@H](CCCCCCCCCCC)O)O)OC(=O)C[C@@H](CCCCCCCCCCC)O)O</smiles> is a lipid A derivative, comprising lipid IVA glycosylated with two 3-deoxy-D-manno-octulosonic acid (KDO) residues with the terminal KDO carrying a (2-aminoethyl)phosphoryl group at position 7. It derives from a lipid IVA. It is a conjugate acid of a 7-O-[(2-aminoethyl)phosphoryl]-alpha-Kdo-(2->4)-alpha-Kdo-(2->6)-lipid IVA(6-).


The molecule <smiles>C([C@@H]([C@@H](C=O)O)O)C(=O)C(=O)[O-]</smiles> is a hydroxy monocarboxylic acid anion resulting from the removal of a proton from the carboxy group of (4S,5S)-4,5-dihydroxy-2,6-dioxohexanoic acid. The major species at pH 7.3. It is a hydroxy monocarboxylic acid anion and a dioxo monocarboxylic acid anion. It is a conjugate base of a (4S,5S)-4,5-dihydroxy-2,6-dioxohexanoic acid.


The molecule <smiles>CC(=O)N[C@H]1C(O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O)[C@@H](O)[C@H](O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O)[C@@H]3O[C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2NC(C)=O)[C@@H]1O</smiles> <smiles>CC(=O)N[C@H]1C(O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O)[C@@H](O)[C@H](O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O)[C@@H]3O[C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2NC(C)=O)[C@@H]1O</smiles> is A branched amino hexasaccharide compound consisting of the linear trisaccharide beta-D-mannosyl-(1->4)-N-acetyl-beta-D-glucosaminyl-(1->4)-N-acetyl-D-glucosamine in which the mannosyl residue has a beta-D-xylosyl residue attached at position 2 as well as two alpha-D-mannosyl residues at positions 3 and 6. It has the role of carbohydrate allergen . It is also related to or classified as high-mannose oligosaccharide , amino hexasaccharide , glucosamine oligosaccharide .


The molecule <smiles>C1=C(C=C2C(=C1OC)O[C@H]([C@@H]2C(=O)O)C3=CC=C(C(=C3)OC)O)/C=C/C(O)=O</smiles> <smiles>C1=C(C=C2C(=C1OC)O[C@H]([C@@H]2C(=O)O)C3=CC=C(C(=C3)OC)O)/C=C/C(O)=O</smiles> is A member of the class of 1-benzofurans that is a lignan obtained by cyclodimerisation of ferulic acid. It has the role of bacterial xenobiotic metabolite . Its functional parent is trans-ferulic acid . It is a conjugate acid of (-)-DCA-CC(2-) . It is also related to or classified as guaiacols  . It is also related to or classified as lignan  . It is also related to or classified as dicarboxylic acid , 1-benzofurans , olefinic compound .


The molecule <smiles>CC(O)C([O-])=O</smiles> <smiles>CC(O)C([O-])=O</smiles> is A hydroxy monocarboxylic acid anion that is the conjugate base of lactic acid, arising from deprotonation of the carboxy group. It has the role of Escherichia coli metabolite . It has the role of human metabolite . Its functional parent is propionate . It is also related to or classified as hydroxy monocarboxylic acid anion .


The molecule <smiles>CC(C)C[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)O)NC(=O)[C@H](CCC(=O)N)N</smiles> is a tetrapeptide composed of L-glutamine, two L-leucine units and L-proline joined in sequence by peptide linkages. It has a role as a metabolite. It derives from a L-glutamine, a L-leucine and a L-proline.


The molecule <smiles>[H][C@]12CC[C@]3(C)[C@@H](O)CC[C@@]3([H])[C@]1([H])C\C(=N/OCC(O)=O)c1cc(O)ccc21</smiles> <smiles>[H][C@]12CC[C@]3(C)[C@@H](O)CC[C@@]3([H])[C@]1([H])C\C(=N/OCC(O)=O)c1cc(O)ccc21</smiles> is an oxime O-ether that is a derivative of 17beta-estradiol having an O-(carboxymethyl)oxime group at the 6-position. It has the role of epitope . Its functional parent is 17beta-estradiol . It is also related to or classified as oxime O-ether  .