The molecule <smiles>C[C@@H]1CN([C@@H](COC2=C(C=C(C=C2)NC(=O)C)C(=O)N(C[C@@H]1OC)C)C)C(=O)C3CC3</smiles> <smiles>C[C@@H]1CN([C@@H](COC2=C(C=C(C=C2)NC(=O)C)C(=O)N(C[C@@H]1OC)C)C)C(=O)C3CC3</smiles> is N-[(4R,7R,8R)-5-[cyclopropyl(oxo)methyl]-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]acetamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .


The molecule <smiles>O=C(CC1=C(C(OC)=C(O)C(=C1)O)C=O)C</smiles> <smiles>O=C(CC1=C(C(OC)=C(O)C(=C1)O)C=O)C</smiles> is Reticulone. It is also related to or classified as phenols  . It is also related to or classified as methoxybenzenes .


The molecule <smiles>O=C1OC(C2=CC(OC)=C(OC)C(=C2)OC)=CC3=C1C[C@]4(O)[C@]5(C(=O)C=C(OC)C([C@]5(O)CC[C@]4(O3)C)(C)C)C</smiles> <smiles>O=C1OC(C2=CC(OC)=C(OC)C(=C2)OC)=CC3=C1C[C@]4(O)[C@]5(C(=O)C=C(OC)C([C@]5(O)CC[C@]4(O3)C)(C)C)C</smiles> is Terreulactone D. It is also related to or classified as organic heterotricyclic compound , organooxygen compound .


The molecule <smiles>CCCCCCCCCC(=O)C</smiles> is a dialkyl ketone with methyl and nonyl as the two alkyl groups. It has a role as a rodenticide and a plant metabolite. It is a dialkyl ketone and a methyl ketone.


The molecule <smiles>NCCCCCO[C@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O[C@H]4O[C@H](CO)[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O[C@H]6O[C@@H]([C@@H](O)[C@H](O)[C@H]6O)C(O)=O)[C@@H]5O)[C@H](O)[C@H]4O)[C@H]3O)[C@H](O[C@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(O)=O)[C@@H]2O)[C@H](O)[C@H]1O</smiles> <smiles>NCCCCCO[C@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O[C@H]4O[C@H](CO)[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O[C@H]6O[C@@H]([C@@H](O)[C@H](O)[C@H]6O)C(O)=O)[C@@H]5O)[C@H](O)[C@H]4O)[C@H]3O)[C@H](O[C@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(O)=O)[C@@H]2O)[C@H](O)[C@H]1O</smiles> is an alpha-D-glucoside that is the 5-aminopentyl glycoside of a branched heptasaccharide consisting of alpha-D-glucuronosyl, beta-D-mannosyl, alpha-D-glucosyl, beta-D-glucosyl, beta-D-mannosyl and beta-D-glucosyl residues linked sequentially (1->3), (1->4), (1->3), (1->4) and (1->4), to the mannosyl residue proximal to the reducing end of which has also linked (1->3) to it an alpha-D-glucuronosyl residue. The 5-aminopentyl group at the reducing end is a spacer to enable further conjugation to a carrier protein for immunological studies. Its functional parent is alpha-D-GlcpA-(1->3)-beta-D-Manp-(1->4)-alpha-D-Glcp-(1->3)-beta-D-Glcp-(1->4)-[alpha-D-GlcpA-(1->3)]-beta-D-Manp-(1->4)-alpha-D-Glcp . It is also related to or classified as alpha-D-glucoside  . It is also related to or classified as heptasaccharide derivative .


The molecule <smiles>CCCN1C[C@@H]([C@H](CN(C(=O)C2=C(C=C(C=C2)NC(=O)C3=CC(=CC=C3)OC)OC[C@H]1C)C)OC)C</smiles> <smiles>CCCN1C[C@@H]([C@H](CN(C(=O)C2=C(C=C(C=C2)NC(=O)C3=CC(=CC=C3)OC)OC[C@H]1C)C)OC)C</smiles> is 3-methoxy-N-[(5R,6S,9R)-5-methoxy-3,6,9-trimethyl-2-oxo-8-propyl-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]benzamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .


The molecule <smiles>CC#CC#CC#C[C@H]1[C@@H](O1)CO</smiles> is an epoxide substituted at position 2 by a hydroxymethyl group and at position 3 by a hepta-1,3,5-triyn-1-yl group (the 2S,3S)-diastereomer. It is isolated from Trametes pubescens and exhibits antifungal properties. It has a role as a metabolite and an antifungal agent. It is an epoxide and a primary alcohol.


The molecule <smiles>[O-]Cl(=O)(=O)=O.CN(C)c1ccc2cc3ccc(cc3[n+](CCCC(=O)NCCCCCNC(=O)CCCCC3SCC4NC(=O)NC34)c2c1)N(C)C</smiles> <smiles>[O-]Cl(=O)(=O)=O.CN(C)c1ccc2cc3ccc(cc3[n+](CCCC(=O)NCCCCCNC(=O)CCCCC3SCC4NC(=O)NC34)c2c1)N(C)C</smiles> is ATTO 495-7. Its functional parent is ATTO 495-2 . It is also related to or classified as thiabicycloalkane .


The molecule <smiles>[O-]Cl(=O)(=O)=O.CN(C)c1ccc2cc3ccc(cc3[n+](CCCC(=O)NCCN3C(=O)C=CC3=O)c2c1)N(C)C</smiles> <smiles>[O-]Cl(=O)(=O)=O.CN(C)c1ccc2cc3ccc(cc3[n+](CCCC(=O)NCCN3C(=O)C=CC3=O)c2c1)N(C)C</smiles> is ATTO 495-4. Its functional parent is ATTO 495-2 . It is also related to or classified as dicarboximide  .


The molecule <smiles>NCCCCCO[C@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O[C@H]4O[C@H](CO)[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)[C@H](O[C@H]6O[C@@H]([C@@H](O)[C@H](O)[C@H]6O)C(O)=O)[C@@H]5O)[C@H](O)[C@H]4O)[C@H]3O)[C@H](O[C@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(O)=O)[C@@H]2O)[C@H](O)[C@H]1O</smiles> <smiles>NCCCCCO[C@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O[C@H]4O[C@H](CO)[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)[C@H](O[C@H]6O[C@@H]([C@@H](O)[C@H](O)[C@H]6O)C(O)=O)[C@@H]5O)[C@H](O)[C@H]4O)[C@H]3O)[C@H](O[C@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(O)=O)[C@@H]2O)[C@H](O)[C@H]1O</smiles> is an alpha-D-glucoside that is the 5-aminopentyl glycoside of a branched octasaccharide consisting of beta-D-glucosyl, beta-D-mannosyl, alpha-D-glucosyl, beta-D-glucosyl, beta-D-mannosyl and beta-D-glucosyl residues linked sequentially (1->4), (1->4), (1->3), (1->4) and (1->4), with both mannosyl residues also having linked (1->3) to them alpha-D-glucuronosyl residues. The 5-aminopentyl group at the reducing end is a spacer to enable further conjugation to a carrier protein for immunological studies. Its functional parent is beta-D-Glcp-(1->4)-[alpha-D-GlcpA-(1->3)]-beta-D-Manp-(1->4)-alpha-D-Glcp-(1->3)-beta-D-Glcp-(1->4)-[alpha-D-GlcpA-(1->3)]-beta-D-Manp-(1->4)-alpha-D-Glcp . It is also related to or classified as alpha-D-glucoside  . It is also related to or classified as octasaccharide derivative .


The molecule <smiles>OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@@H](O[C@H]3[C@H](O)[C@@H](CO)O[C@@H](O[C@@H]4[C@@H](CO)O[C@@H](O[C@H]5[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]5CO)[C@@H](O)[C@H]4O[C@H]4O[C@@H]([C@@H](O)[C@H](O)[C@H]4O)C(O)=O)[C@@H]3O)O[C@@H]2CO)[C@@H](O)[C@@H](O[C@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(O)=O)[C@@H]1O</smiles> <smiles>OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@@H](O[C@H]3[C@H](O)[C@@H](CO)O[C@@H](O[C@@H]4[C@@H](CO)O[C@@H](O[C@H]5[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]5CO)[C@@H](O)[C@H]4O[C@H]4O[C@@H]([C@@H](O)[C@H](O)[C@H]4O)C(O)=O)[C@@H]3O)O[C@@H]2CO)[C@@H](O)[C@@H](O[C@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(O)=O)[C@@H]1O</smiles> is A branched heptasaccharide consisting of alpha-D-glucuronosyl, beta-D-mannosyl, alpha-D-glucosyl, beta-D-glucosyl, beta-D-mannosyl and beta-D-glucosyl residues linked sequentially (1->3), (1->4), (1->3), (1->4) and (1->4), to the mannosyl residue proximal to the reducing end of which has also linked (1->3) to it an alpha-D-glucuronosyl residue. It has the role of antigen . It is also related to or classified as heptasaccharide .


The molecule <smiles>C[C@]12CC[C@H]([C@@]([C@@H]1CC[C@@H]3[C@@]24CC[C@@]([C@H](C3)C4)(CO)O)(C)CO)O</smiles> is a tetracyclic diterpenoid that has an tetradecahydro-8,11a-methanocyclohepta[a]naphthalene skeleton with two hydroxymethyl substituents at positions 4 and 9, two methyl substituents at positions 4 and 11b and two hydroxy substituents at positions 3 and 9. An antibiotic with antiviral and antimitotical properties. Aphidicolin is a reversible inhibitor of eukaryotic nuclear DNA replication. It has a role as an antimicrobial agent, an antiviral drug, an antineoplastic agent, an EC 2.7.7.7 (DNA-directed DNA polymerase) inhibitor, a DNA synthesis inhibitor, an apoptosis inducer and a fungal metabolite.


The molecule <smiles>[Na+].[H][C@]12SCC(COC(C)=O)=C(N1C(=O)[C@H]2NC(=O)CSc1ccncc1)C([O-])=O</smiles> <smiles>[Na+].[H][C@]12SCC(COC(C)=O)=C(N1C(=O)[C@H]2NC(=O)CSc1ccncc1)C([O-])=O</smiles> is the sodium salt of cephapirin. A first-generation cephalosporin antibiotic, it is effective against gram-negative and gram-positive organisms. Being more resistant to beta-lactamases than penicillins, it is effective agains most staphylococci, though not methicillin-resistant staphylococci. It has the role of antibacterial drug . It is also related to or classified as cephalosporin  . It is also related to or classified as organic sodium salt .


The molecule <smiles>O=C1NC=2C(N(C3CC3)C=4N=CC=CC41)=NC=CC2CO</smiles> <smiles>O=C1NC=2C(N(C3CC3)C=4N=CC=CC41)=NC=CC2CO</smiles> is A dipyridodiazepine that is nevirapine in which one of the hydrogens of the methyl group has been substituted by a hydroxy group. It is a metabolite of the anti-HIV drug, nevirapine. It has the role of drug metabolite . Its functional parent is nevirapine . It is also related to or classified as aromatic primary alcohol  . It is also related to or classified as cyclopropanes , dipyridodiazepine .


The molecule <smiles>C1=CC=NC(=C1)C2=NC(=C(N=N2)C3=CC=C(C=C3)S(=O)(=O)O)C4=CC=C(C=C4)S(=O)(=O)O</smiles> is an arenesulfonic acid that is the 4,4'-disulfo derivative of 5,6-diphenyl-3-(pyridin-2-yl)-1,2,4-triazine. It has a role as an iron chelator. It is an arenesulfonic acid, a member of 1,2,4-triazines and a member of pyridines. It is a conjugate acid of a ferrozine(2-).


The molecule <smiles>O=C(NC1=C(O)C=CC(=C1)COC)C</smiles> <smiles>O=C(NC1=C(O)C=CC(=C1)COC)C</smiles> is Venezueline G. It is also related to or classified as anilide  . It is also related to or classified as acetamides .


The molecule <smiles>O=C1OC(=O)C2=C1[C@H]3[C@]4(OC([C@](C2)(CC(=O)O)C4=C[C@H]([C@@H]3C[C@@H](O)C(=O)CC/C=C/C)CCCCC/C=C/C)=O)O</smiles> <smiles>O=C1OC(=O)C2=C1[C@H]3[C@]4(OC([C@](C2)(CC(=O)O)C4=C[C@H]([C@@H]3C[C@@H](O)C(=O)CC/C=C/C)CCCCC/C=C/C)=O)O</smiles> is CP-225,917. Its functional parent is tetracarboxylic acid . It is also related to or classified as organooxygen compound .


The molecule <smiles>CC=CC1=CC=C(C=C1)[C@H]2[C@H]3CN(CC(=O)N3[C@@H]2CO)S(=O)(=O)C4=CC=CC=C4</smiles> <smiles>CC=CC1=CC=C(C=C1)[C@H]2[C@H]3CN(CC(=O)N3[C@@H]2CO)S(=O)(=O)C4=CC=CC=C4</smiles> is LSM-42005. It is also related to or classified as benzenes , ring assembly , azetidines .


The molecule <smiles>O([C@@H]1C(C=2[C@]([C@]3([C@]([C@]4([C@@]([C@](CC4)([C@@H](CC[C@@H](O[C@@H]5O[C@@H]([C@@H](O)[C@H](O)[C@H]5O)CO)C(O)(C)C)C)[H])(CC3)C)C)(CC2)[H])C)(CC1)[H])(C)C)[C@@H]6O[C@@H]([C@@H](O)[C@H](O)[C@H]6O)CO</smiles> <smiles>O([C@@H]1C(C=2[C@]([C@]3([C@]([C@]4([C@@]([C@](CC4)([C@@H](CC[C@@H](O[C@@H]5O[C@@H]([C@@H](O)[C@H](O)[C@H]5O)CO)C(O)(C)C)C)[H])(CC3)C)C)(CC2)[H])C)(CC1)[H])(C)C)[C@@H]6O[C@@H]([C@@H](O)[C@H](O)[C@H]6O)CO</smiles> is 11-dehydroxy-mogroside IIE. It is also related to or classified as beta-D-glucoside  . It is also related to or classified as 3-hydroxy steroid , steroid saponin .


The molecule <smiles>C[C@]12CC[C@@H](C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@H]4OS(=O)(=O)O)C)OS(=O)(=O)O</smiles> is an androstane sulfate that is 5alpha-androstan-3beta,17beta-diol in which both hydroxy hydrogens have been replaced by sulfo groups. It derives from a 5alpha-androstane-3beta,17beta-diol. It is a conjugate acid of a 5alpha-androstane-3beta,17beta-diol disulfate anion and a 5alpha-androstane-3beta,17beta-diol disulfate(2-).


The molecule <smiles>O=C1OC(CC=2C1=C(O)C3=C(O)C=C(O)C(=C3C2)C4=C(O)C=C(O)C=5C4=CC=6CC(C)CC(C6C5O)=O)C</smiles> <smiles>O=C1OC(CC=2C1=C(O)C3=C(O)C=C(O)C(=C3C2)C4=C(O)C=C(O)C=5C4=CC=6CC(C)CC(C6C5O)=O)C</smiles> is Aschernaphthopyrone A. It is also related to or classified as organic heterotricyclic compound , organooxygen compound .


The molecule <smiles>O=C1O[C@H](CCCC(=O)[C@H](O)[C@H](CC=CC2=C1C(O)=CC(=C2OC)OC)O)C</smiles> <smiles>O=C1O[C@H](CCCC(=O)[C@H](O)[C@H](CC=CC2=C1C(O)=CC(=C2OC)OC)O)C</smiles> is Hamigeromycin D. It is also related to or classified as macrolide  . It is also related to or classified as resorcinols .


The molecule <smiles>C[C@H](C#CC1=CC=C(C=C1)[C@H]2[C@H]3CN(CCCCN3[C@H]2CO)C(=O)C4=CC5=C(C=C4)OCO5)O</smiles> <smiles>C[C@H](C#CC1=CC=C(C=C1)[C@H]2[C@H]3CN(CCCCN3[C@H]2CO)C(=O)C4=CC5=C(C=C4)OCO5)O</smiles> is 1,3-benzodioxol-5-yl-[(8S,9S,10R)-9-[4-[(3R)-3-hydroxybut-1-ynyl]phenyl]-10-(hydroxymethyl)-1,6-diazabicyclo[6.2.0]decan-6-yl]methanone. It is also related to or classified as benzenes , ring assembly , azetidines .


The molecule <smiles>O([C@@H]1[C@]2([C@]3([C@@]([C@](CC3)([C@@H](CC(O[C@@H]4O[C@@H]([C@@H](O)[C@H](O)[C@H]4O)CO)C=C(C)C)C)[H])(CC[C@]2([C@]5(C(=C1)C([C@@H](O)CC5)(C)C)[H])CO)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@]2([C@]3([C@@]([C@](CC3)([C@@H](CC(O[C@@H]4O[C@@H]([C@@H](O)[C@H](O)[C@H]4O)CO)C=C(C)C)C)[H])(CC[C@]2([C@]5(C(=C1)C([C@@H](O)CC5)(C)C)[H])CO)C)C)[H])[C@@H]6O[C@@H]([C@@H](O)[C@H](O)[C@H]6O)CO</smiles> is Kuguaglycoside E. It is also related to or classified as beta-D-glucoside  . It is also related to or classified as 3-hydroxy steroid , steroid saponin .


The molecule <smiles>C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CC[C@H]4[C@@]3(C=CC(=O)C4)C</smiles> is a 3-oxo Delta(1)-steroid with 5beta-configuration formed from 17beta-hydroxyandrosta-1,4-dien-3-one by reduction across the C4-C5 double bond. It has a role as a human xenobiotic metabolite. It is a 17beta-hydroxy steroid and a 3-oxo-Delta(1) steroid. It derives from a 5beta-androstane.


The molecule <smiles>O=C/1N[C@@](OC)(C(=O)N\C1=C/C=2C3=C(C=CC(=C3)CC=C(C)C)NC2C(C=C)(C)C)C</smiles> <smiles>O=C/1N[C@@](OC)(C(=O)N\C1=C/C=2C3=C(C=CC(=C3)CC=C(C)C)NC2C(C=C)(C)C)C</smiles> is Variecolorin I. Its functional parent is alpha-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .


The molecule <smiles>O[C@@H](CC(=O)C([O-])=O)[C@@H](O)C([O-])=O</smiles> <smiles>O[C@@H](CC(=O)C([O-])=O)[C@@H](O)C([O-])=O</smiles> is A dicarboxylic acid dianion obtained by removal of a proton from both of the carboxylic acid groups of 5-dehydro-4-deoxy-D-glucarate. Its functional parent is D-glucarate(2-) . It is also related to or classified as dicarboxylic acid dianion  .


The molecule <smiles>OS(=O)S([O-])=O</smiles> <smiles>OS(=O)S([O-])=O</smiles> is dithionite(1-). It is a conjugate acid of dithionite(2-) . It is also related to or classified as sulfur oxoanion .


The molecule <smiles>ClC1=C(/C=C/C)[C@@H](O)C[C@H]1O</smiles> <smiles>ClC1=C(/C=C/C)[C@@H](O)C[C@H]1O</smiles> is Cyclohelminthol III. It is also related to or classified as alcohol  . It is also related to or classified as organochlorine compound  .


The molecule <smiles>C1CC(C1)CNC[C@@H]2[C@H]([C@H](N2CC3CC3)CO)C4=CC=CC=C4</smiles> <smiles>C1CC(C1)CNC[C@@H]2[C@H]([C@H](N2CC3CC3)CO)C4=CC=CC=C4</smiles> is [(2S,3R,4S)-4-[(cyclobutylmethylamino)methyl]-1-(cyclopropylmethyl)-3-phenyl-2-azetidinyl]methanol. It is also related to or classified as benzenes , ring assembly , azetidines .


The molecule <smiles>O[C@H]1[C@@]2([C@]([C@]3([C@@]([C@](CC3)([C@@H](CC[C@@H](O[C@@H]4O[C@@H]([C@@H](O)[C@H](O)[C@H]4O)CO)C(O)(C)C)C)[H])(C1)C)C)(CC=C5[C@]2(CC[C@H](O[C@@H]6O[C@@H]([C@@H](O)[C@H](O)[C@H]6O)CO)C5(C)C)[H])[H])C</smiles> <smiles>O[C@H]1[C@@]2([C@]([C@]3([C@@]([C@](CC3)([C@@H](CC[C@@H](O[C@@H]4O[C@@H]([C@@H](O)[C@H](O)[C@H]4O)CO)C(O)(C)C)C)[H])(C1)C)C)(CC=C5[C@]2(CC[C@H](O[C@@H]6O[C@@H]([C@@H](O)[C@H](O)[C@H]6O)CO)C5(C)C)[H])[H])C</smiles> is Mogroside II-E.  It is also related to or classified as beta-D-glucoside  . It is also related to or classified as mogroside , 3-hydroxy steroid , steroid saponin .


The molecule <smiles>C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CCC4=C3C=CC(=C4O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)[O-])O)O)O</smiles> is a steroid glucuronide anion that is the conjugate base of 4-hydroxy-17beta-estradiol 3-O-(beta-D-glucuronide) arising from deprotonation of the carboxylic acid function; major species at pH 7.3. It is a steroid glucosiduronic acid anion, a beta-D-glucosiduronate and a monocarboxylic acid anion. It is a conjugate base of a 4-hydroxy-17beta-estradiol 3-O-(beta-D-glucuronide).


The molecule <smiles>[K+].O[C@H]([C@@H](O)C([O-])=O)C(O)=O</smiles> <smiles>[K+].O[C@H]([C@@H](O)C([O-])=O)C(O)=O</smiles> is an organic potassium salt of L-tartaric acid. It is a by-product of winemaking and occurs naturally in grapes, the major fruit used to produce wine. It has the role of antimicrobial agent . It has the role of laxative . It has the role of food acidity regulator . It has the role of plant metabolite . It has the role of food anticaking agent . It has the role of food stabiliser . It has the role of food humectant . It has the role of raising agent . It is also related to or classified as organic potassium salt .


The molecule <smiles>O[C@H]1[C@@]2([C@]([C@]3([C@@]([C@](CC3)([C@@H](CC[C@@H](O)C(O[C@@H]4O[C@@H]([C@@H](O)[C@H](O)[C@H]4O)CO)(C)C)C)[H])(C1)C)C)(CC=C5[C@]2(CC[C@H](O[C@@H]6O[C@@H]([C@@H](O)[C@H](O)[C@H]6O)CO)C5(C)C)[H])[H])C</smiles> <smiles>O[C@H]1[C@@]2([C@]([C@]3([C@@]([C@](CC3)([C@@H](CC[C@@H](O)C(O[C@@H]4O[C@@H]([C@@H](O)[C@H](O)[C@H]4O)CO)(C)C)C)[H])(C1)C)C)(CC=C5[C@]2(CC[C@H](O[C@@H]6O[C@@H]([C@@H](O)[C@H](O)[C@H]6O)CO)C5(C)C)[H])[H])C</smiles> is Mogroside II B. It is also related to or classified as beta-D-glucoside  . It is also related to or classified as 3-hydroxy steroid , steroid saponin .


The molecule <smiles>CC(=O)NN</smiles> is a carbohydrazide that is hydrazine in which one of the hydrogens is replaced by an acetyl group. It has a role as a drug metabolite. It is a tautomer of an acetohydrazonic acid.


The molecule <smiles>O=C(NC1C(O)C(O)C(OC2OC(C(O)C(C2N)O)CNC)C(C1)N)[C@@H](O)CCN</smiles> <smiles>O=C(NC1C(O)C(O)C(OC2OC(C(O)C(C2N)O)CNC)C(C1)N)[C@@H](O)CCN</smiles> is AHB-6-Methylneamine. It is also related to or classified as glycoside  . It is also related to or classified as amino cyclitol .


The molecule <smiles>O.O.O.O.O.O.O.[Ni++].[O-]S([O-])(=O)=O</smiles> <smiles>O.O.O.O.O.O.O.[Ni++].[O-]S([O-])(=O)=O</smiles> is A hydrate of nickel sulfate containing nickel (in +2 oxidation state), sulfate and water moieties in the ratio 1:1:7. It is also related to or classified as hydrate .


The molecule <smiles>C(=O)([C@H](C)NC([C@@H](NC(C)=O)CCSC)=O)N[C@H](C(=O)[O-])CO</smiles> <smiles>C(=O)([C@H](C)NC([C@@H](NC(C)=O)CCSC)=O)N[C@H](C(=O)[O-])CO</smiles> is A peptide anion obtained by deprotonation of the carboxy group of N-acetyl-L-methionyl-L-alanyl-L-serine; major species at pH 7.3. It is also related to or classified as peptide anion .


The molecule <smiles>O([C@@H]1C(C=2[C@]([C@]3([C@]([C@]4([C@@]([C@](CC4)([C@@H]([C@H](O)[C@@H](O)C(=O)C(O)(C)C)C)[H])(CC3)C)C)(CC2)[H])C)(CC1)[H])(C)C)[C@@H]5O[C@@H]([C@@H](O)[C@H](O)[C@H]5O)CO[C@@H]6O[C@@H]([C@@H](O)[C@H](O)[C@H]6O)CO</smiles> <smiles>O([C@@H]1C(C=2[C@]([C@]3([C@]([C@]4([C@@]([C@](CC4)([C@@H]([C@H](O)[C@@H](O)C(=O)C(O)(C)C)C)[H])(CC3)C)C)(CC2)[H])C)(CC1)[H])(C)C)[C@@H]5O[C@@H]([C@@H](O)[C@H](O)[C@H]5O)CO[C@@H]6O[C@@H]([C@@H](O)[C@H](O)[C@H]6O)CO</smiles> is Goyaglycoside H. It is also related to or classified as 3-hydroxy steroid , steroid saponin , disaccharide derivative .


The molecule <smiles>CC1CCCCN1CCCOC(=O)C2=CC(=C(C=C2)Cl)Cl</smiles> is a member of the class of piperidines that is 2-methylpiperidine in which the hydrogen attached to the nitrogen is replaced by a 3-[(3,4-dichlorobenzoyl)oxy]propyl group. It is a member of piperidines, a tertiary amino compound, a benzoate ester and a dichlorobenzene. It derives from a 3,4-dichlorobenzoic acid.


The molecule <smiles>O1[C@H](O[C@@H]2C(=C[C@H](N[C@H]3[C@H](O)[C@@H](O)[C@@H](O[C@H]4[C@H](O)[C@@H](O)[C@@H](O[C@@H]5C(=C[C@H](N[C@H]6[C@H](O)[C@@H](O)C(O)O[C@@H]6C)[C@@H]([C@H]5O)O)CO)O[C@@H]4CO)O[C@@H]3C)[C@@H]([C@H]2O)O)CO)[C@H](O)[C@@H](O)[C@@H]([C@H]1CO)O[C@H]7O[C@@H]([C@@H](N[C@H]8C=C([C@@H](O)[C@@H]([C@H]8O)O)CO)[C@@H]([C@H]7O)O)C</smiles> <smiles>O1[C@H](O[C@@H]2C(=C[C@H](N[C@H]3[C@H](O)[C@@H](O)[C@@H](O[C@H]4[C@H](O)[C@@H](O)[C@@H](O[C@@H]5C(=C[C@H](N[C@H]6[C@H](O)[C@@H](O)C(O)O[C@@H]6C)[C@@H]([C@H]5O)O)CO)O[C@@H]4CO)O[C@@H]3C)[C@@H]([C@H]2O)O)CO)[C@H](O)[C@@H](O)[C@@H]([C@H]1CO)O[C@H]7O[C@@H]([C@@H](N[C@H]8C=C([C@@H](O)[C@@H]([C@H]8O)O)CO)[C@@H]([C@H]7O)O)C</smiles> is Acarviostatin III0(-1). It is also related to or classified as glycoside  . It is also related to or classified as amino cyclitol .


The molecule <smiles>C[C@H](CC/C=C(\\C)/C=O)[C@H]1CC[C@@]2([C@@]1(CCC3=C2C(=O)C[C@@H]4[C@@]3(CC[C@@H](C4(C)C)O)C)C)C</smiles> is a tetracyclic triterpenoid that is lanosta-8,24-dien-26-al substituted by a beta-hydroxy group at position 3 and an oxo group at position 7. Isolated from Ganoderma lucidum and Ganoderma pfeifferi, it exhibits cytotoxic activity. It has a role as a metabolite and an antineoplastic agent. It is an aldehyde, a cyclic terpene ketone, a tetracyclic triterpenoid and a secondary alcohol. It derives from a hydride of a lanostane.


The molecule <smiles>O[C@H]1[C@@]2(C([C@]3([C@@](C(CC3)[C@@H](CC[C@@H](O)C(O)(C)C)C)(C1)C)C)CC=C4C2CC[C@H](OC5O[C@@H]([C@@H](O)[C@H](O)[C@H]5O)CO[C@@H]6O[C@@H]([C@@H](O)[C@H](O)[C@H]6O)CO)C4(C)C)C</smiles> <smiles>O[C@H]1[C@@]2(C([C@]3([C@@](C(CC3)[C@@H](CC[C@@H](O)C(O)(C)C)C)(C1)C)C)CC=C4C2CC[C@H](OC5O[C@@H]([C@@H](O)[C@H](O)[C@H]5O)CO[C@@H]6O[C@@H]([C@@H](O)[C@H](O)[C@H]6O)CO)C4(C)C)C</smiles> is Mogroside II-A2. It is also related to or classified as 3-hydroxy steroid , steroid saponin , disaccharide derivative .


The molecule <smiles>CC[C@H](C)[C@@H](C(=O)N[C@@H]([C@@H](C)O)C(=O)O)N</smiles> is a dipeptide obtained by formal condensation of the carboxy group of L-isoleucine with the amino group of L-threonine. It derives from a L-isoleucine and a L-threonine.


The molecule <smiles>[H][C@]12SCC(COC(C)=O)=C(N1C(=O)[C@H]2NC(=O)CSc1ccncc1)C([O-])=O</smiles> <smiles>[H][C@]12SCC(COC(C)=O)=C(N1C(=O)[C@H]2NC(=O)CSc1ccncc1)C([O-])=O</smiles> is the anion of cephapirin obtained by removal of a proton form the carboxylic acid group. It is also related to or classified as cephalosporin carboxylic acid anion .


The molecule <smiles>[H]OBr=O</smiles> <smiles>[H]OBr=O</smiles> is bromous acid. It is a conjugate acid of bromite . It is also related to or classified as bromine oxoacid .


The molecule <smiles>O([C@@H]1C(C=2[C@]([C@]3([C@]([C@]4([C@@]([C@](CC4)([C@@H](CC(O)C(O)C(O)(C)C)C)[H])(CC3)C)C)(CC2)[H])C)(CC1)[H])(C)C)[C@@H]5O[C@@H]([C@@H](O)[C@H](O)[C@H]5O)CO[C@@H]6O[C@@H]([C@@H](O)[C@H](O)[C@H]6O)CO</smiles> <smiles>O([C@@H]1C(C=2[C@]([C@]3([C@]([C@]4([C@@]([C@](CC4)([C@@H](CC(O)C(O)C(O)(C)C)C)[H])(CC3)C)C)(CC2)[H])C)(CC1)[H])(C)C)[C@@H]5O[C@@H]([C@@H](O)[C@H](O)[C@H]5O)CO[C@@H]6O[C@@H]([C@@H](O)[C@H](O)[C@H]6O)CO</smiles> is momordicoside C. It is also related to or classified as 3-hydroxy steroid , steroid saponin , disaccharide derivative .


The molecule <smiles>COC1=C(C=CC(=C1)[C@@H]2CC(=O)C3=C(C=C(C=C3O2)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O[C@H]5[C@@H]([C@](CO5)(CO[C@H]6[C@@H]([C@](CO6)(CO)O)O)O)O)O)O</smiles> is a viscumneoside that is viscumneoside III in which the primary hydroxy group of the beta-D-apiofuranosyl moiety has itself been converted to the corresponding beta-D-apiofuranoside derivative. Found in Viscum coloratum, an evergreen hemiparasitic plant whose stems and leaves are used in traditional Chinese medicine for the treatment of rheumatism. It has a role as a plant metabolite. It is a viscumneoside, a flavanone glycoside and a beta-D-glucoside. It derives from a viscumneoside III, a homoeriodictyol and a beta-D-apiose.


The molecule <smiles>CCCCCCCCCCCC(O)CCCCCCCCCCC</smiles> <smiles>CCCCCCCCCCCC(O)CCCCCCCCCCC</smiles> is A secondary fatty alcohol that is tricosane substituted by a hydroxy group at position 12. It is also related to or classified as secondary fatty alcohol  . It is also related to or classified as tricosanol .


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


The molecule <smiles>O([C@@H]1C(C=2[C@]([C@]3([C@]([C@]4([C@@]([C@](CC4)([C@@H]([C@H](O)[C@@H](O)[C@@H](O)C(O)(C)C)C)[H])(CC3)C)C)(CC2)[H])C)(CC1)[H])(C)C)[C@@H]5O[C@@H]([C@@H](O)[C@H](O[C@@H]6OC[C@@H](O)[C@H](O)[C@@H]6O)[C@H]5O)CO[C@@H]7O[C@@H]([C@@H](O)[C@H](O)[C@H]7O)CO</smiles> <smiles>O([C@@H]1C(C=2[C@]([C@]3([C@]([C@]4([C@@]([C@](CC4)([C@@H]([C@H](O)[C@@H](O)[C@@H](O)C(O)(C)C)C)[H])(CC3)C)C)(CC2)[H])C)(CC1)[H])(C)C)[C@@H]5O[C@@H]([C@@H](O)[C@H](O[C@@H]6OC[C@@H](O)[C@H](O)[C@@H]6O)[C@H]5O)CO[C@@H]7O[C@@H]([C@@H](O)[C@H](O)[C@H]7O)CO</smiles> is momordicoside B. It is also related to or classified as 3-hydroxy steroid , steroid saponin , polysaccharide derivative .


The molecule <smiles>C1CCC2=C(C1)C(=O)N(C2=O)C3=CC=C(C=C3)Cl</smiles> is a member of the class of phthalimides that is 4,5,6,7-tetrahydrophthalimide in which the nitrogen has been substituted by a p-chlorophenyl group. It is used as a herbicide. It has a role as a herbicide and an EC 1.3.3.4 (protoporphyrinogen oxidase) inhibitor. It is a member of maleimides, a member of phthalimides and a member of monochlorobenzenes.


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


The molecule <smiles>COC(C)C</smiles> <smiles>COC(C)C</smiles> is an ether compound having methyl and isopropyl as the two alkyl groups. It has the role of anaesthetic . It is also related to or classified as ether  .


The molecule <smiles>CCCCCCCCCCCCCC(O)CCCCCCCCC</smiles> <smiles>CCCCCCCCCCCCCC(O)CCCCCCCCC</smiles> is A secondary fatty alcohol that is tricosane substituted by a hydroxy group at position 10. It is also related to or classified as secondary fatty alcohol  . It is also related to or classified as tricosanol .


The molecule <smiles>O([C@@H]1C(C=2[C@]([C@]3([C@]([C@]4([C@@]([C@](CC4)([C@@H]([C@H](O)[C@@H](O)[C@@H](O)C(O[C@@H]5O[C@@H]([C@@H](O)[C@H](O)[C@H]5O)CO)(C)C)C)[H])(CC3)C)C)(CC2)[H])C)(CC1)[H])(C)C)[C@@H]6O[C@@H]([C@@H](O)[C@H](O[C@@H]7OC[C@@H](O)[C@H](O)[C@@H]7O)[C@H]6O)CO[C@@H]8O[C@@H]([C@@H](O)[C@H](O)[C@H]8O)CO</smiles> <smiles>O([C@@H]1C(C=2[C@]([C@]3([C@]([C@]4([C@@]([C@](CC4)([C@@H]([C@H](O)[C@@H](O)[C@@H](O)C(O[C@@H]5O[C@@H]([C@@H](O)[C@H](O)[C@H]5O)CO)(C)C)C)[H])(CC3)C)C)(CC2)[H])C)(CC1)[H])(C)C)[C@@H]6O[C@@H]([C@@H](O)[C@H](O[C@@H]7OC[C@@H](O)[C@H](O)[C@@H]7O)[C@H]6O)CO[C@@H]8O[C@@H]([C@@H](O)[C@H](O)[C@H]8O)CO</smiles> is momordicoside T. It is also related to or classified as 3-hydroxy steroid , steroid saponin , polysaccharide derivative .


The molecule <smiles>CC1=C(NC(=C1CCC(=O)O)CC2=C(C(=C(N2)/C=C/3\\C(=C(C(=O)N3)C)C=C)C)CCC(=O)O)/C=C/4\\C(=C(C(=O)N4)C=C)C</smiles> is a member of the class of biladienes that is an analogue of bilirubin in which the double bonds at position 4 and 15 have E-geochemistry. It is a member of biladienes and a dicarboxylic acid. It is a conjugate acid of an (E,E)-bilirubin anion.


The molecule <smiles>CC(=CCC/C(=C/CC/C(=C/CC/C(=C\\CC/C(=C\\CC/C(=C\\CC/C(=C\\CC/C(=C\\CC/C(=C\\CC/C(=C\\CC/C(=C\\CC/C(=C\\COP(=O)(O)O)/C)/C)/C)/C)/C)/C)/C)/C)/C)/C)/C)C</smiles> is a polyprenol phosphate having twelve prenyl units in the chain (the 2Z,6Z,10Z,14Z,18Z,22Z,26Z,30Z,34Z,38E,42E-isomer). It is a conjugate acid of a ditrans,polycis-dodecaprenyl phosphate(2-).


The molecule <smiles>C(\OC[C@H](COP([O-])(=O)OCC[NH3+])OC(=O)CCCCCCCCCCCC(C)C)=C\CCCCCCCCCCC(C)C</smiles> <smiles>C(\OC[C@H](COP([O-])(=O)OCC[NH3+])OC(=O)CCCCCCCCCCCC(C)C)=C\CCCCCCCCCCC(C)C</smiles> is 1-O-(13-methyl-1Z-tetradecenyl)-2-(13-methyltetradecanoyl)-sn-glycero-3-phosphoethanolamine zwitterion. Its functional parent is isopentadecanoate . It is also related to or classified as 1-(Z)-alk-1-enyl-2-acyl-sn-glycero-3-phosphoethanolamine zwitterion  .


The molecule <smiles>CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O)CO)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)NC(=O)C)O</smiles> is an amino disaccharide consisting of 2-acetamido-2-deoxy-beta-D-galactopyranose and 2-acetamido-2-deoxy-alpha-D-glucopyranose residues joined in sequence by a (1->4) glycosidic bond. It is an amino disaccharide and a member of acetamides.


The molecule <smiles>O=C1C=C2C=C(OC[C@@H]2[C@@H]([C@@]1(O)C)OC(=O)[C@H](C[C@H](CC)C)C)C=CC(=O)O</smiles> <smiles>O=C1C=C2C=C(OC[C@@H]2[C@@H]([C@@]1(O)C)OC(=O)[C@H](C[C@H](CC)C)C)C=CC(=O)O</smiles> is Lunatoic acid E. It is also related to or classified as fatty acid ester  .


The molecule <smiles>C1=CC(=CC=C1CC#N)Cl</smiles> is a nitrile that is acetonitrile in which one of the hydrogens has been replaced by a p-chlorophenyl group. It is a member of monochlorobenzenes and a nitrile. It derives from an acetonitrile.


The molecule <smiles>CC1OC(OP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H](C[C@@H]2O)n2cc(C)c(=O)[nH]c2=O)C(O)C(O)C1O</smiles> <smiles>CC1OC(OP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H](C[C@@H]2O)n2cc(C)c(=O)[nH]c2=O)C(O)C(O)C1O</smiles> is A dTDP-sugar having either D- or L-rhamnose as the sugar component. It is also related to or classified as dTDP-sugar  .


The molecule <smiles>C(OC[C@H](COP([O-])(=O)OCC[NH3+])OC(=O)CCCCCCCCCCCC(C)C)CCCCCCCCCCCC(C)C</smiles> <smiles>C(OC[C@H](COP([O-])(=O)OCC[NH3+])OC(=O)CCCCCCCCCCCC(C)C)CCCCCCCCCCCC(C)C</smiles> is 1-O-(13-methyltetradecyl)-2-(13-methyltetradecanoyl)-sn-glycero-3-phosphoethanolamine zwitterion. Its functional parent is isopentadecanoate . It is also related to or classified as 1-alkyl-2-acyl-sn-glycero-3-phosphoethanolamine zwitterion  .


The molecule <smiles>C/C(=C/NC(=O)N)/C(=O)[O-]</smiles> is a monocarboxylic acid anion resulting from the deprotonation of the carboxy group of (Z)-2-methylureidoacrylic acid. The major species at pH 7.3. It derives from an acrylate. It is a conjugate base of a (Z)-2-methylureidoacrylic acid.


The molecule <smiles>[H]C(=O)CC(C)CCCC(C)(C)O</smiles> <smiles>[H]C(=O)CC(C)CCCC(C)(C)O</smiles> is the tertiary alcohol arising from addition of water across the C=C double bond of citronellal. It has the role of fragrance . It has the role of allergen . Its functional parent is citronellal . It is also related to or classified as tertiary alcohol  .


The molecule <smiles>C[C@H]1O[C@H](OC[C@H]2OC(O)[C@H](NC(C)=O)[C@@H](O)[C@@H]2O[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]4OC[C@@H](O)[C@H](O)[C@H]4O)[C@@H]3O)[C@H](O)[C@H]2NC(C)=O)[C@H](O)[C@@H](O)[C@H]1O</smiles> <smiles>C[C@H]1O[C@H](OC[C@H]2OC(O)[C@H](NC(C)=O)[C@@H](O)[C@@H]2O[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]4OC[C@@H](O)[C@H](O)[C@H]4O)[C@@H]3O)[C@H](O)[C@H]2NC(C)=O)[C@H](O)[C@@H](O)[C@H]1O</smiles> is A branched heptasaccharide derivative consisting of a GlcNAc residue at the reducing end with a Man-alpha(1->6)-[Xyl-beta(1->2)-Man-alpha(1->3)]-Man-beta(1->4)-GlcNAc moiety attached via a beta-(1->4)-linkage and a Fuc residue attached via an alpha-(1->6)-linkage. It is also related to or classified as high-mannose oligosaccharide , heptasaccharide derivative .


The molecule <smiles>C12=C3C=4[C@@H](N(CCC4C=C1OCO2)C)CC=5C=CC(=CC5)OC=6C(=CC=C(C6)C[C@H]7N(CCC8=C7C=C(C(=C8)OC)O3)C)OC</smiles> <smiles>C12=C3C=4[C@@H](N(CCC4C=C1OCO2)C)CC=5C=CC(=CC5)OC=6C(=CC=C(C6)C[C@H]7N(CCC8=C7C=C(C(=C8)OC)O3)C)OC</smiles> is A bisbenzylisoquinoline alkaloid from tubers of Stephania; stimulates recovery of immunologic function in lymphatic system after administration of antineoplastic agents or x-irradiation. It is also related to or classified as bisbenzylisoquinoline alkaloid , isoquinolines .


The molecule <smiles>[O-]C(=O)CCC(=O)N[C@@H](CCC=O)C([O-])=O</smiles> <smiles>[O-]C(=O)CCC(=O)N[C@@H](CCC=O)C([O-])=O</smiles> is conjugate base of N-succinyl-L-glutamic 5-semialdehyde. It is also related to or classified as dicarboxylic acid dianion  .


The molecule <smiles>CC(C)CCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCC(C)C</smiles> <smiles>CC(C)CCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCC(C)C</smiles> is the diisononyl ester of benzene-1,2-dicarboxylic acid. It has the role of plasticiser .  It is also related to or classified as diester  . It is also related to or classified as phthalate ester .


The molecule <smiles>CCCCCCCCCCCCCCCCCCOC[C@H](COP([O-])(=O)OCC[NH3+])OC(=O)CCCCCCC/C=C\CCCCCCCC</smiles> <smiles>CCCCCCCCCCCCCCCCCCOC[C@H](COP([O-])(=O)OCC[NH3+])OC(=O)CCCCCCC/C=C\CCCCCCCC</smiles> is 1-O-octadecyl-2-oleoyl-sn-glycero-3-phosphoethanolamine zwitterion. It is also related to or classified as 1-O-octadecyl-2-acyl-sn-glycero-3-phosphoethanolamine zwitterion  . It is also related to or classified as 1-alkyl-2-acyl-sn-glycero-3-phosphoethanolamine zwitterion  .


The molecule <smiles>CC1=CN=C(N=C1NC2=CC(=CC=C2)S(=O)(=O)NC(C)(C)C)NC3=CC=C(C=C3)N4CCN(CC4)C</smiles> is a member of the class of pyrimidines that is 5-methylpyrimidine-2,4-diamine in which the amino group at position 2 is substituted by a p-(4-methylpiperazin-1-yl)phenyl group, while that at position 4 is substituted by a m-(tert-butylsulfamoyl)phenyl group. A Janus kinase 2 (JAK2) inhibitor. It has a role as an EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor, an apoptosis inducer and an antineoplastic agent. It is a sulfonamide, a member of pyrimidines, a N-alkylpiperazine, a N-arylpiperazine and a secondary amino compound.


The molecule <smiles>C(CCC([O-])=O)CCCCCC/C=C\C/C=C\C/C=C\CC</smiles> <smiles>C(CCC([O-])=O)CCCCCC/C=C\C/C=C\C/C=C\CC</smiles> is A polyunsaturated fatty acid anion that is the conjugate base of (11Z,14Z,17Z)-icosatrienoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. It has the role of human metabolite . It is also related to or classified as icosatrienoate  .


The molecule <smiles>O=C1N(C2(C(=O)OC2)C(C1C)(O)C(OC)CC(C(O)/C=C/C=C/CNC(=O)C(C(O)/C(=C/C=C/C=C/CC=3OC=NC3)/C)(C)C)C)C</smiles> <smiles>O=C1N(C2(C(=O)OC2)C(C1C)(O)C(OC)CC(C(O)/C=C/C=C/CNC(=O)C(C(O)/C(=C/C=C/C=C/CC=3OC=NC3)/C)(C)C)C)C</smiles> is Oxalomycin B. Its functional parent is alpha-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .


The molecule <smiles>CCCCCCCCCCCCCCCCCCC(O)CCCC</smiles> <smiles>CCCCCCCCCCCCCCCCCCC(O)CCCC</smiles> is A secondary fatty alcohol that is tricosane substituted by a hydroxy group at position 5. It is also related to or classified as secondary fatty alcohol  . It is also related to or classified as tricosanol .


The molecule <smiles>C[C@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)N(C)C)[C@@H](C)CO)C)CN(C)CC3=CC(=C(C=C3)Cl)Cl</smiles> <smiles>C[C@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)N(C)C)[C@@H](C)CO)C)CN(C)CC3=CC(=C(C=C3)Cl)Cl</smiles> is (3S,9S,10S)-9-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]-16-(dimethylamino)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-13-one. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .


The molecule <smiles>O([C@@H]1C(C=2[C@]([C@]3([C@]([C@]4([C@@]([C@](CC4)([C@@H]([C@H](O)[C@@H](O)[C@@H](O)C(O[C@@H]5O[C@@H]([C@@H](O)[C@H](O)[C@H]5O)CO)(C)C)C)[H])(CC3)C)C)(CC2)[H])C)(CC1)[H])(C)C)[C@@H]6O[C@@H]([C@@H](O)[C@H](O)[C@H]6O)CO[C@@H]7O[C@@H]([C@@H](O)[C@H](O)[C@H]7O)CO</smiles> <smiles>O([C@@H]1C(C=2[C@]([C@]3([C@]([C@]4([C@@]([C@](CC4)([C@@H]([C@H](O)[C@@H](O)[C@@H](O)C(O[C@@H]5O[C@@H]([C@@H](O)[C@H](O)[C@H]5O)CO)(C)C)C)[H])(CC3)C)C)(CC2)[H])C)(CC1)[H])(C)C)[C@@H]6O[C@@H]([C@@H](O)[C@H](O)[C@H]6O)CO[C@@H]7O[C@@H]([C@@H](O)[C@H](O)[C@H]7O)CO</smiles> is momordicoside S. It is also related to or classified as 3-hydroxy steroid , steroid saponin , disaccharide derivative .


The molecule <smiles>C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)([O-])OP(=O)([O-])O[C@@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)[NH3+])O)O</smiles> is a nucleotide-sugar oxoanion that is the conjugate base of UDP-alpha-D-galactosamine, arising from deprotonation of the diphosphate group and protonation of the amino group. It is a conjugate base of an UDP-alpha-D-galactosamine.


The molecule <smiles>OS(=O)(=O)c1cc(c(cc1[N+]([O-])=O)[N+]([O-])=O)[N+]([O-])=O</smiles> <smiles>OS(=O)(=O)c1cc(c(cc1[N+]([O-])=O)[N+]([O-])=O)[N+]([O-])=O</smiles> is an arenesulfonic acid that is benzene with a sulfo group at position 1 and three nitro substituents in the 2-, 4- and 5-positions. It has the role of hapten . It is also related to or classified as arenesulfonic acid , C-nitro compound .


The molecule <smiles>[H][C@@]12C[C@@](C[C@H](N)C(O)=O)(O[C@]1([H])CCCO2)C(O)=O</smiles> <smiles>[H][C@@]12C[C@@](C[C@H](N)C(O)=O)(O[C@]1([H])CCCO2)C(O)=O</smiles> is A furopyran that is (3aR,7aR)-hexahydro-2H-furo[3,2-b]pyran substituted by carboxy and (2S)-2-amino-2-carboxyethyl groups at position 2 (the 2R,3aR,7aR-stereoisomer). It is an antagonist of the kainate-type ionotropic receptor, GluK1. It has the role of antinociceptive agent . It has the role of excitatory amino acid antagonist . It is also related to or classified as amino dicarboxylic acid , furopyran .


The molecule <smiles>C[C@H]1CCN2C=C(COC[C@H](NC1=O)C(C)C)N=N2</smiles> <smiles>C[C@H]1CCN2C=C(COC[C@H](NC1=O)C(C)C)N=N2</smiles> is (4S,7R)-4-methyl-7-propan-2-yl-9-oxa-1,6,12,13-tetrazabicyclo[9.2.1]tetradeca-11(14),12-dien-5-one. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .


The molecule <smiles>O([C@@H]1C(C=2[C@]([C@]3([C@]([C@]4([C@@]([C@](CC4)([C@@H]([C@H](O)[C@@H](O)[C@@H](O)C(O)(C)C)C)[H])(CC3)C)C)(CC2)[H])C)(CC1)[H])(C)C)[C@@H]5O[C@@H]([C@@H](O)[C@H](O)[C@H]5O)CO[C@@H]6O[C@@H]([C@@H](O)[C@H](O)[C@H]6O)CO</smiles> <smiles>O([C@@H]1C(C=2[C@]([C@]3([C@]([C@]4([C@@]([C@](CC4)([C@@H]([C@H](O)[C@@H](O)[C@@H](O)C(O)(C)C)C)[H])(CC3)C)C)(CC2)[H])C)(CC1)[H])(C)C)[C@@H]5O[C@@H]([C@@H](O)[C@H](O)[C@H]5O)CO[C@@H]6O[C@@H]([C@@H](O)[C@H](O)[C@H]6O)CO</smiles> is momordicoside A. It is also related to or classified as 3-hydroxy steroid , steroid saponin , disaccharide derivative .


The molecule <smiles>CCCCCCCCCCC(C(C(CO)N)O)O</smiles> is a tetrol that is 2-aminotetradecane with the theree hydroxy substituents located at position 1, 3, and 4. It has a role as a plant metabolite. It is an amino alcohol and a triol. It derives from a hydride of a tetradecane.


The molecule <smiles>O=C1OC(C2=CC=C(OC)C=C2)=CC3=C1C[C@]4(O)[C@@]5([C@](O)(C(C(=O)CC5)(C)C)CC[C@]4(O3)C)C</smiles> <smiles>O=C1OC(C2=CC=C(OC)C=C2)=CC3=C1C[C@]4(O)[C@@]5([C@](O)(C(C(=O)CC5)(C)C)CC[C@]4(O3)C)C</smiles> is Terreulactone C. It is also related to or classified as organic heterotricyclic compound , organooxygen compound .


The molecule <smiles>S(=O)(=O)(O[C@H]1C(O)(O)[C@]23NC(N)=N[C@H]2[C@H](COC(=O)NS(=O)(=O)O)N(C(N3C1)=N)O)O</smiles> <smiles>S(=O)(=O)(O[C@H]1C(O)(O)[C@]23NC(N)=N[C@H]2[C@H](COC(=O)NS(=O)(=O)O)N(C(N3C1)=N)O)O</smiles> is N-sulfocarbamoylgonyautoxin-3. It has the role of marine metabolite . It is also related to or classified as organic heterotricyclic compound .


The molecule <smiles>O([C@@H]1[C@@]([C@]2([C@@]([C@@]3([C@]([C@]4(C([C@]5([C@@](CC4)(CCC(C5)(C)C)C(O[C@@H]6O[C@@H]([C@H](O)[C@H](O[C@@H]7O[C@H]([C@H](O)[C@@H](O)[C@H]7O)C)[C@H]6O[C@@H]8O[C@H]([C@H](O[C@@H]9OC[C@@H](O)[C@H](O[C@@H]%10OC[C@@H](O)[C@H](O)[C@H]%10O)[C@H]9O)[C@@H](O)[C@H]8O)C)C)=O)[H])=CC3)C)(CC2)C)[H])(CC1)C)[H])(C)C=O)[C@@H]%11O[C@@H]([C@@H](O)[C@H](O)[C@H]%11O[C@@H]%12O[C@@H]([C@H](O)[C@H](O)[C@H]%12O)CO)C(O)=O</smiles> <smiles>O([C@@H]1[C@@]([C@]2([C@@]([C@@]3([C@]([C@]4(C([C@]5([C@@](CC4)(CCC(C5)(C)C)C(O[C@@H]6O[C@@H]([C@H](O)[C@H](O[C@@H]7O[C@H]([C@H](O)[C@@H](O)[C@H]7O)C)[C@H]6O[C@@H]8O[C@H]([C@H](O[C@@H]9OC[C@@H](O)[C@H](O[C@@H]%10OC[C@@H](O)[C@H](O)[C@H]%10O)[C@H]9O)[C@@H](O)[C@H]8O)C)C)=O)[H])=CC3)C)(CC2)C)[H])(CC1)C)[H])(C)C=O)[C@@H]%11O[C@@H]([C@@H](O)[C@H](O)[C@H]%11O[C@@H]%12O[C@@H]([C@H](O)[C@H](O)[C@H]%12O)CO)C(O)=O</smiles> is Goyasaponin II. It is also related to or classified as pentacyclic triterpenoid , triterpenoid saponin .


The molecule <smiles>[CH-]1[CH-][CH-][CH-][CH-]1.[CH-]1C=CC=C1.[Zr]</smiles> is a bis(eta(5)-cyclopentadienyl)metal(II) having Zr(II) as the metal(II) species. The parent of the class of zirconocenes. It is a member of zirconocenes and a bis(eta(5)-cyclopentadienyl)metal(II).


The molecule <smiles>C[C@H](CCC(=O)[O-])[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@@H](C4)O)C)O)O)C</smiles> is a bile acid anion that is the conjugate base of 3beta,7alpha,12alpha-trihydroxy-5beta-cholan-24-oic acid, obtained by deprotonation of the carboxy group. The 3beta-hydroxy epimer of cholate. It is the major microspecies at pH 7.3. It is a conjugate base of a 3beta,7alpha,12alpha-trihydroxy-5beta-cholan-24-oic acid.


The molecule <smiles>CCCCCCCCCCCCCCCCCCCCC(O)CC</smiles> <smiles>CCCCCCCCCCCCCCCCCCCCC(O)CC</smiles> is A secondary fatty alcohol that is tricosane substituted by a hydroxy group at position 3. It is also related to or classified as secondary fatty alcohol  . It is also related to or classified as tricosanol .


The molecule <smiles>COC1=CC(=CC(=C1O)OC)C2C3COC(C3CO2)C4=CC(=C(C(=C4)OC)OC(CO)C(C5=CC(=C(C=C5)O)OC)O)OC</smiles> is a guaiacyl lignin that is syringaresinol in which one of the phenolic hydrogens is replaced by a guaiacylglycerol group. It is found in Arabidopsis thaliana. It has a role as a plant metabolite. It is a guaiacyl lignin, a furofuran, a dimethoxybenzene, a primary alcohol, a secondary alcohol and a polyphenol. It derives from a guaiacylglycerol and a syringaresinol.


The molecule <smiles>[C@@]12([C@]3([C@](CC[C@@]1(C[C@@](CC2)(C)C=C)[H])(C(CCC3)=C)C)[H])C</smiles> <smiles>[C@@]12([C@]3([C@](CC[C@@]1(C[C@@](CC2)(C)C=C)[H])(C(CCC3)=C)C)[H])C</smiles> is A carbotricyclic compound and diterpene that is tetradecahydrophenanthrene which is substituted by a methylene group at position 1, methyl groups at positions 4b, 7, and 10a, and a vinyl group at position 7 (the 4aS,4bR,7S,8aR,10aS stereoisomer). It has the role of plant metabolite . It is also related to or classified as diterpene  . It is also related to or classified as carbotricyclic compound , olefinic compound .


The molecule <smiles>C[C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)OC([C@@]23CCC(C)(C)C[C@]3(C4=CCC5[C@@]6(C)CC[C@@H]([C@@](C)(C=O)C6CC[C@@]5(C)[C@]4(C)CC2)O[C@H]7[C@@H]([C@H]([C@@H]([C@@H](C(=O)O)O7)O)O)O[C@H]8[C@@H]([C@H]([C@H]([C@@H](CO)O8)O)O)O)[H])=O)O[C@H]9[C@@H]([C@@H]([C@H]([C@H](C)O9)O[C@H]%10[C@@H]([C@H]([C@@H](CO%10)O)O[C@H]%11[C@@H]([C@H]([C@@H](CO%11)O)O)O)O)O)O)O)O</smiles> <smiles>C[C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)OC([C@@]23CCC(C)(C)C[C@]3(C4=CCC5[C@@]6(C)CC[C@@H]([C@@](C)(C=O)C6CC[C@@]5(C)[C@]4(C)CC2)O[C@H]7[C@@H]([C@H]([C@@H]([C@@H](C(=O)O)O7)O)O)O[C@H]8[C@@H]([C@H]([C@H]([C@@H](CO)O8)O)O)O)[H])=O)O[C@H]9[C@@H]([C@@H]([C@H]([C@H](C)O9)O[C@H]%10[C@@H]([C@H]([C@@H](CO%10)O)O[C@H]%11[C@@H]([C@H]([C@@H](CO%11)O)O)O)O)O)O)O)O</smiles> is Silenoside A. It is also related to or classified as pentacyclic triterpenoid , triterpenoid saponin .


The molecule <smiles>CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])O[C@@H]1[C@@H]([C@@H]([C@H]([C@@H]([C@H]1O)OP(=O)([O-])[O-])O)O)O)OC(=O)CCCCCCC/C=C\\C/C=C\\CCCCC</smiles> is a 1-phosphatidyl-1D-myo-inositol 5-phosphate(3-) obtained by deprotonation of the phosphate OH groups of 1-stearoyl-2-linoleoyl-sn-glycero-3-phospho-1D-myo-inositol 5-phosphate; major species at pH 7.3. It is a conjugate base of a 1-stearoyl-2-linoleoyl-sn-glycero-3-phospho-1D-myo-inositol 5-phosphate.


The molecule <smiles>CCCCCCCCCCCCCCCCCCCC(O)CCC</smiles> <smiles>CCCCCCCCCCCCCCCCCCCC(O)CCC</smiles> is A secondary fatty alcohol that is tricosane substituted by a hydroxy group at position 4. It is also related to or classified as secondary fatty alcohol  . It is also related to or classified as tricosanol .


The molecule <smiles>C1=CC(=CC=C1/C=C/C(=O)CC(=O)/C=C/C2=CC=C(C=C2)O)O</smiles> is a beta-diketone that is methane in which two of the hydrogens are substituted by 4-hydroxycinnamoyl groups. It has a role as a metabolite and an EC 3.2.1.1 (alpha-amylase) inhibitor. It is a beta-diketone, a polyphenol, an enone and a diarylheptanoid. It derives from a 4-coumaric acid.


The molecule <smiles>[C@@]12([C@]3([C@](CC[C@@]1(C[C@@](CC2)(C)C4CO4)[H])(C(CCC3)=C)C)[H])C</smiles> <smiles>[C@@]12([C@]3([C@](CC[C@@]1(C[C@@](CC2)(C)C4CO4)[H])(C(CCC3)=C)C)[H])C</smiles> is A tricyclic diterpenoid that is dolabradiene in which vinyl substituent has undergone oxidation to give the corresponding epoxide. Its functional parent is dolabradiene . It is also related to or classified as epoxide  . It is also related to or classified as olefinic compound , tricyclic diterpenoid .


The molecule <smiles>CCCCCCCC\C=C/CCCCCC([O-])=O</smiles> <smiles>CCCCCCCC\C=C/CCCCCC([O-])=O</smiles> is A hexadecenoate that is the conjugate base of (7Z)-hexadecenoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. It is also related to or classified as hexadecenoate  .


The molecule <smiles>OC12[C@@]([C@](CC1)([C@@](O)([C@H](O[C@H]3O[C@@H]([C@H](O)[C@H](O)[C@H]3O)CO)CCC(O)(C)C)C)[H])(CC[C@@]4([C@@]5([C@@](C[C@@H](O)[C@H](O)C5)(C(=O)C=C24)[H])C)[H])C</smiles> <smiles>OC12[C@@]([C@](CC1)([C@@](O)([C@H](O[C@H]3O[C@@H]([C@H](O)[C@H](O)[C@H]3O)CO)CCC(O)(C)C)C)[H])(CC[C@@]4([C@@]5([C@@](C[C@@H](O)[C@H](O)C5)(C(=O)C=C24)[H])C)[H])C</smiles> is 2,3,14,20,25-pentahydroxy-6-oxocholest-7-en-22-yl hexopyranoside. It is also related to or classified as alpha-D-galactoside  . It is also related to or classified as steroid saponin .


The molecule <smiles>CC(=O)N[C@@H](CC1=CN=CN1C)C(=O)O</smiles> is an N-acetyl-L-amino acid that is N-acetyl-L-histidine carrying a methyl substituent at position 3 on the imidazole ring. It has a role as a human blood serum metabolite. It is a N-acetyl-L-amino acid and a L-histidine derivative. It is a conjugate acid of a N-acetyl-3-methyl-L-histidinate.


The molecule <smiles>NC(Cc1cc(I)c(Oc2cc(I)c(OS(O)(=O)=O)c(I)c2)c(I)c1)C(O)=O</smiles> <smiles>NC(Cc1cc(I)c(Oc2cc(I)c(OS(O)(=O)=O)c(I)c2)c(I)c1)C(O)=O</smiles> is an iodothyronine having iodo substituents in the 3-, 3'-, 5- and 5'-positions and a sulfate group attached to the phenol function. Its functional parent is thyroxine . It is a conjugate acid of thyroxine sulfate(1-) . It is also related to or classified as iodothyronine .


The molecule <smiles>O=C(O)C[C@@H](O)C/C=C/C=C/C=C/C=C/C=C/C=C/C=C/C=C/C=C/C=C(\C(=O)C)/C</smiles> <smiles>O=C(O)C[C@@H](O)C/C=C/C=C/C=C/C=C/C=C/C=C/C=C/C=C/C=C/C=C(\C(=O)C)/C</smiles> is Laetiporic acid. It is also related to or classified as very long-chain fatty acid  .


The molecule <smiles>NC[C@H](N)C([O-])=O</smiles> <smiles>NC[C@H](N)C([O-])=O</smiles> is 3-amino-L-alaninate. Its functional parent is propionate . Its functional parent is L-alaninate . It is also related to or classified as 3-aminoalaninate  .


The molecule <smiles>[C@@]12([C@]3([C@](CC[C@@]1(C[C@@](CC2)(C)C4CO4)[H])(C([C@H](CC3)O)=C)C)[H])C</smiles> <smiles>[C@@]12([C@]3([C@](CC[C@@]1(C[C@@](CC2)(C)C4CO4)[H])(C([C@H](CC3)O)=C)C)[H])C</smiles> is A tricyclic diterpenoid that is 15,16-epoxydolabrene in which the pro-S hydrogen at position 3 has been replaced by a hydroxy group. Its functional parent is 15,16-epoxydolabrene . It is also related to or classified as secondary allylic alcohol  . It is also related to or classified as epoxide  . It is also related to or classified as tricyclic diterpenoid .


The molecule <smiles>O([C@@H]1[C@@]([C@]2([C@@]([C@@]3([C@]([C@]4(C([C@]5([C@@](CC4)(CCC(C5)(C)C)C(O[C@@H]6O[C@@H]([C@H](O)[C@H](O[C@@H]7O[C@H]([C@H](O)[C@@H](O)[C@H]7O)C)[C@H]6O[C@@H]8O[C@H](C(OC9OC[C@@H](O)[C@H](O)[C@H]9O)[C@@H](O)[C@H]8O)C)C)=O)[H])=CC3)C)(CC2)C)[H])(CC1)C)[H])(C)C=O)[C@@H]%10O[C@@H]([C@@H](O)[C@H](O)[C@H]%10O[C@@H]%11O[C@@H]([C@H](O)[C@H](O)[C@H]%11O)CO)C(O)=O</smiles> <smiles>O([C@@H]1[C@@]([C@]2([C@@]([C@@]3([C@]([C@]4(C([C@]5([C@@](CC4)(CCC(C5)(C)C)C(O[C@@H]6O[C@@H]([C@H](O)[C@H](O[C@@H]7O[C@H]([C@H](O)[C@@H](O)[C@H]7O)C)[C@H]6O[C@@H]8O[C@H](C(OC9OC[C@@H](O)[C@H](O)[C@H]9O)[C@@H](O)[C@H]8O)C)C)=O)[H])=CC3)C)(CC2)C)[H])(CC1)C)[H])(C)C=O)[C@@H]%10O[C@@H]([C@@H](O)[C@H](O)[C@H]%10O[C@@H]%11O[C@@H]([C@H](O)[C@H](O)[C@H]%11O)CO)C(O)=O</smiles> is Goyasaponin I. It is also related to or classified as pentacyclic triterpenoid , triterpenoid saponin .


The molecule <smiles>CC(C)COC(=O)C</smiles> is the acetate ester of isobutanol. It has a role as a Saccharomyces cerevisiae metabolite. It derives from an isobutanol.


The molecule <smiles>C[C@@H]1OC(OC[C@@H](O)[C@H](O)[C@H](OC2O[C@H](CO)[C@@H](OC3O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]3OC3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3NC(C)=O)[C@H](OC3O[C@H](CO)[C@H](O)[C@H](OC4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4NC(C)=O)[C@H]3NC(C)=O)[C@H]2NC(C)=O)[C@H](CO)NC(C)=O)[C@@H](O)[C@H](O)[C@@H]1O</smiles> <smiles>C[C@@H]1OC(OC[C@@H](O)[C@H](O)[C@H](OC2O[C@H](CO)[C@@H](OC3O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]3OC3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3NC(C)=O)[C@H](OC3O[C@H](CO)[C@H](O)[C@H](OC4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4NC(C)=O)[C@H]3NC(C)=O)[C@H]2NC(C)=O)[C@H](CO)NC(C)=O)[C@@H](O)[C@H](O)[C@@H]1O</smiles> is an oligosaccharide derivative consisting of -D-GalNAc-ol at the reducing end with a D-GalNAc-(1->3)-D-GalNAc-(1->3)-[D-GalNAc-(1->2)-L-Fuc-(1->4)]-D-GlcNAc moiety attached via a (1->3)-linkage and a L-Fuc residue attached via a (1->6)-linkage. It is also related to or classified as oligosaccharide derivative .


The molecule <smiles>CCCC\C=C/CCCCCCCCCC(O)=O</smiles> <smiles>CCCC\C=C/CCCCCCCCCC(O)=O</smiles> is A C16, monounsaturated fatty acid with a double bond at position 11; a key intermediate in silkworm pheromone biosynthesis. It is also related to or classified as hexadecenoic acid .


The molecule <smiles>[Ca++].[Ca++].[Ca++].OC(CC([O-])=O)(CC([O-])=O)C([O-])=O.OC(CC([O-])=O)(CC([O-])=O)C([O-])=O</smiles> <smiles>[Ca++].[Ca++].[Ca++].OC(CC([O-])=O)(CC([O-])=O)C([O-])=O.OC(CC([O-])=O)(CC([O-])=O)C([O-])=O</smiles> is an organic calcium salt composed of calcium cations and citrate anions in a 3:2 ratio. It has the role of flavouring agent . It has the role of nutraceutical . It has the role of food additive . It has the role of food preservative . It is also related to or classified as organic calcium salt .


The molecule <smiles>C[C@@H]1O[C@@H](O[C@@H]2[C@@H](NC(C)=O)C(O)O[C@H](CO)[C@H]2O[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]3O[C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2NC(C)=O)[C@@H](O)[C@H](O)[C@@H]1O</smiles> <smiles>C[C@@H]1O[C@@H](O[C@@H]2[C@@H](NC(C)=O)C(O)O[C@H](CO)[C@H]2O[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]3O[C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2NC(C)=O)[C@@H](O)[C@H](O)[C@@H]1O</smiles> is A branched amino hexasaccharide consisting of a GlcNAc residue at the reducing end with a Man-alpha(1->6)-[Xyl-beta(1->2)]-Man-beta(1->4)-GlcNAc moiety attached via a beta-(1->4)-linkage and a Fuc residue attached via an alpha-(1->3)-linkage. It has the role of carbohydrate allergen . It is also related to or classified as amino hexasaccharide .


The molecule <smiles>C[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)O[C@@H]2[C@@H]([C@@H](C)O[C@H]([C@@H]2O[C@@H]3[C@@H](C([C@@H]([C@@H](C)O3)O[C@H]4[C@@H]([C@@H]([C@@H](CO4)O)O)O)O)O)OC([C@]56CCC(C)(C)C[C@@]6(C7=CC[C@@]8([H])[C@@]9(C)CC[C@@H]([C@@](C)(C=O)[C@@]9(CC[C@@]8(C)[C@]7(C)CC5)[H])O[C@H]%10[C@@H]([C@H]([C@@H]([C@@H](C(=O)O)O%10)O)O[C@@H]%11[C@H]([C@H]([C@@H](CO%11)O)O)O)O[C@H]%12[C@H]([C@@H]([C@H]([C@H](CO)O%12)O)O)O)[H])=O)O)O)O)O</smiles> <smiles>C[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)O[C@@H]2[C@@H]([C@@H](C)O[C@H]([C@@H]2O[C@@H]3[C@@H](C([C@@H]([C@@H](C)O3)O[C@H]4[C@@H]([C@@H]([C@@H](CO4)O)O)O)O)O)OC([C@]56CCC(C)(C)C[C@@]6(C7=CC[C@@]8([H])[C@@]9(C)CC[C@@H]([C@@](C)(C=O)[C@@]9(CC[C@@]8(C)[C@]7(C)CC5)[H])O[C@H]%10[C@@H]([C@H]([C@@H]([C@@H](C(=O)O)O%10)O)O[C@@H]%11[C@H]([C@H]([C@@H](CO%11)O)O)O)O[C@H]%12[C@H]([C@@H]([C@H]([C@H](CO)O%12)O)O)O)[H])=O)O)O)O)O</smiles> is Luperoside I. It is also related to or classified as pentacyclic triterpenoid , triterpenoid saponin .


The molecule <smiles>COC1=C(C=C2C(=C1)N3[C@@H]4[C@]25CCN6[C@H]5C[C@@H]7[C@H]4[C@H](CC3=O)OCC=C7C6)O</smiles> is a monoterpenoid indole alkaloid with formula C22H24N2O4, originallly isolated from the seeds of Strychnos nux-vomica. It has a role as a plant metabolite. It is a delta-lactam, a monoterpenoid indole alkaloid, an organic heteroheptacyclic compound, a member of phenols and an aromatic ether. It derives from a strychnine.


The molecule <smiles>[Be++].O.O.O.O.[O-]S([O-])(=O)=O</smiles> <smiles>[Be++].O.O.O.O.[O-]S([O-])(=O)=O</smiles> is A hydrate of beryllium sulfate containing beryllium (in +2 oxidation state), sulfate and  water moieties in the ratio 1:1:4. It is also related to or classified as hydrate .


The molecule <smiles>O=C1O[C@@H](O)[C@@]23O[C@@H]2[C@H]4OC([C@@]5([C@H]4[C@@](C3=C1)(CC[C@H]5O)C)C)=O</smiles> <smiles>O=C1O[C@@H](O)[C@@]23O[C@@H]2[C@H]4OC([C@@]5([C@H]4[C@@](C3=C1)(CC[C@H]5O)C)C)=O</smiles> is Epi-oidiolactone G. It is also related to or classified as organic heterotricyclic compound , organooxygen compound .


The molecule <smiles>O[C@@H]1[C@@]23N(C(=N[C@H]([C@@H]2N=C(N3)N)C)N)CC1</smiles> <smiles>O[C@@H]1[C@@]23N(C(=N[C@H]([C@@H]2N=C(N3)N)C)N)CC1</smiles> is 12alpha-Deoxy-deoxysaxitoxin. It has the role of marine metabolite . It is also related to or classified as organic heterotricyclic compound .


The molecule <smiles>CC(C)NC[C@@H]1[C@@H]([C@@H](N1S(=O)(=O)C)CO)C2=CC=C(C=C2)C3=CCCCC3</smiles> <smiles>CC(C)NC[C@@H]1[C@@H]([C@@H](N1S(=O)(=O)C)CO)C2=CC=C(C=C2)C3=CCCCC3</smiles> is [(2R,3S,4S)-3-[4-(1-cyclohexenyl)phenyl]-1-methylsulfonyl-4-[(propan-2-ylamino)methyl]-2-azetidinyl]methanol. It is also related to or classified as benzenes , ring assembly , azetidines .


The molecule <smiles>O([C@@H]1[C@@]([C@]2([C@@]([C@@]3([C@]([C@]4(C([C@]5([C@@](CC4)(CCC(C5)(C)C)C(O[C@@H]6O[C@@H]([C@H](O)[C@H](O)[C@H]6O[C@@H]7O[C@H]([C@H](O[C@@H]8OC[C@@H](O)[C@H](O[C@@H]9OC[C@@H](O)[C@H](O)[C@H]9O)[C@H]8O)[C@@H](O[C@@H]%10O[C@@H]([C@@H](O)[C@H](O)[C@H]%10O)CO)[C@H]7O)C)C)=O)[H])=CC3)C)(CC2)C)[H])(CC1)C)[H])(C)C=O)[C@@H]%11O[C@@H]([C@@H](O)[C@H](O)[C@H]%11O[C@@H]%12O[C@@H]([C@H](O)[C@H](O)[C@H]%12O)CO)C(O)=O</smiles> <smiles>O([C@@H]1[C@@]([C@]2([C@@]([C@@]3([C@]([C@]4(C([C@]5([C@@](CC4)(CCC(C5)(C)C)C(O[C@@H]6O[C@@H]([C@H](O)[C@H](O)[C@H]6O[C@@H]7O[C@H]([C@H](O[C@@H]8OC[C@@H](O)[C@H](O[C@@H]9OC[C@@H](O)[C@H](O)[C@H]9O)[C@H]8O)[C@@H](O[C@@H]%10O[C@@H]([C@@H](O)[C@H](O)[C@H]%10O)CO)[C@H]7O)C)C)=O)[H])=CC3)C)(CC2)C)[H])(CC1)C)[H])(C)C=O)[C@@H]%11O[C@@H]([C@@H](O)[C@H](O)[C@H]%11O[C@@H]%12O[C@@H]([C@H](O)[C@H](O)[C@H]%12O)CO)C(O)=O</smiles> is Lobatoside J. It is also related to or classified as pentacyclic triterpenoid , triterpenoid saponin .


The molecule <smiles>CC(C)(C)NCC(C1=CC(=CC(=C1)OC(=O)N(C)C)OC(=O)N(C)C)O</smiles> is a carbamate ester that is terbutaline in which both of the phenolic hydroxy groups have been protected as the corresponding N,N-dimethylcarbamates. A long acting beta-adrenoceptor agonist used in the treatment of asthma, it is a prodrug for terbutaline. It has a role as a beta-adrenergic agonist, a prodrug, a bronchodilator agent, an anti-asthmatic drug, an EC 3.1.1.7 (acetylcholinesterase) inhibitor, a sympathomimetic agent and a tocolytic agent. It is a carbamate ester and a member of phenylethanolamines. It derives from a terbutaline.


The molecule <smiles>CCCCCCCCCCCCCCCCCCC(O)CCC</smiles> <smiles>CCCCCCCCCCCCCCCCCCC(O)CCC</smiles> is A secondary fatty alcohol that is docosane substituted by a hydroxy group at position 4. It is also related to or classified as secondary fatty alcohol  . It is also related to or classified as docosanol .


The molecule <smiles>Cl[Cu]</smiles> <smiles>Cl[Cu]</smiles> is an inorganic chloride of copper in which the metal is in the +1 oxidation state. It has the role of agrochemical . It has the role of molluscicide . It is also related to or classified as copper molecular entity , inorganic chloride .


The molecule <smiles>C[C@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)C3=CC=NC=C3)[C@@H](C)CO)C)CN(C)CC4CCCCC4</smiles> <smiles>C[C@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)C3=CC=NC=C3)[C@@H](C)CO)C)CN(C)CC4CCCCC4</smiles> is N-[(3S,9S,10R)-9-[[cyclohexylmethyl(methyl)amino]methyl]-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-4-pyridinecarboxamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .


The molecule <smiles>[H][C@]12SCC(C)=C(N1C(=O)[C@H]2NC(=O)[C@H](N)C1=CCC=CC1)C(O)=O</smiles> <smiles>[H][C@]12SCC(C)=C(N1C(=O)[C@H]2NC(=O)[C@H](N)C1=CCC=CC1)C(O)=O</smiles> is A first-generation cephalosporin antibiotic with a methyl substituent at position 3, and a (2R)-2-amino-2-cyclohexa-1,4-dien-1-ylacetamido substituent at position 7, of the cephem skeleton. It has the role of antibacterial drug . It is also related to or classified as cephalosporin  . It is also related to or classified as beta-lactam antibiotic allergen .


The molecule <smiles>O([C@@H]1[C@@]([C@]2([C@@]([C@@]3([C@]([C@]4(C([C@]5([C@@](CC4)(CCC(C5)(C)C)C(O[C@@H]6O[C@@H]([C@H](O)[C@H](O)[C@H]6O[C@@H]7O[C@H]([C@H](O[C@@H]8OC[C@@H](O)[C@H](O)[C@H]8O)[C@@H](O[C@@H]9O[C@@H]([C@@H](O)[C@H](O)[C@H]9O)CO)[C@H]7O)C)C)=O)[H])=CC3)C)(CC2)C)[H])(CC1)C)[H])(C)C=O)[C@@H]%10O[C@@H]([C@@H](O)[C@H](O)[C@H]%10O[C@@H]%11O[C@@H]([C@H](O)[C@H](O)[C@H]%11O)CO)C(O)=O</smiles> <smiles>O([C@@H]1[C@@]([C@]2([C@@]([C@@]3([C@]([C@]4(C([C@]5([C@@](CC4)(CCC(C5)(C)C)C(O[C@@H]6O[C@@H]([C@H](O)[C@H](O)[C@H]6O[C@@H]7O[C@H]([C@H](O[C@@H]8OC[C@@H](O)[C@H](O)[C@H]8O)[C@@H](O[C@@H]9O[C@@H]([C@@H](O)[C@H](O)[C@H]9O)CO)[C@H]7O)C)C)=O)[H])=CC3)C)(CC2)C)[H])(CC1)C)[H])(C)C=O)[C@@H]%10O[C@@H]([C@@H](O)[C@H](O)[C@H]%10O[C@@H]%11O[C@@H]([C@H](O)[C@H](O)[C@H]%11O)CO)C(O)=O</smiles> is Lobatoside I. It is also related to or classified as pentacyclic triterpenoid , triterpenoid saponin .


The molecule <smiles>C/C(=C\\C(=O)N(CCC[C@H]1C(=O)N[C@H](C(=O)N1)CCCN(C(=O)/C=C(\\C)/CCOC(=O)[C@H](CCCN(C(=O)/C=C(\\C)/CCO)[O-])NC(=O)C)[O-])[O-])/CCO.[Fe+3]</smiles> is an iron(III) hydroxamate isolated from fungi and bacteria including Penicillium species and Neurospora crassa. It is a growth factor for coprophilous fungi. It has a role as a Penicillium metabolite. It is a Fe(III)-complexed hydroxamate siderophore and a homoallylic alcohol. It contains a desferricoprogen(3-).


The molecule <smiles>O[C@H]1[C@@]23N(C(=N[C@H]([C@@H]2N=C(N3)N)C)N)CC1</smiles> <smiles>O[C@H]1[C@@]23N(C(=N[C@H]([C@@H]2N=C(N3)N)C)N)CC1</smiles> is 12beta-Deoxy-deoxysaxitoxin. It has the role of marine metabolite . It is also related to or classified as organic heterotricyclic compound .


The molecule <smiles>CC1=NC(NC2=NC=C(S2)C(=O)NC2=C(C)C=CC=C2Cl)=CC(=N1)N1CC[NH+](CCO)CC1</smiles> <smiles>CC1=NC(NC2=NC=C(S2)C(=O)NC2=C(C)C=CC=C2Cl)=CC(=N1)N1CC[NH+](CCO)CC1</smiles> is A tertiary ammonium ion that is the conjugate acid of dasatinib, resulting from the protonation of the piperazine tertiary amino group. Major microspecies at pH 7.3. It is a conjugate acid of dasatinib (anhydrous) . It is also related to or classified as tertiary ammonium ion  .


The molecule <smiles>CCCNC(=O)C[C@H]1CC[C@@H]2[C@@H](O1)COC3=C(C=C(C=C3)NC(=O)C4=NOC(=C4)C)C(=O)N2C</smiles> <smiles>CCCNC(=O)C[C@H]1CC[C@@H]2[C@@H](O1)COC3=C(C=C(C=C3)NC(=O)C4=NOC(=C4)C)C(=O)N2C</smiles> is N-[(2R,4aR,12aR)-5-methyl-6-oxo-2-[2-oxo-2-(propylamino)ethyl]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-5-methyl-3-isoxazolecarboxamide. It is also related to or classified as heteroarene  . It is also related to or classified as aromatic amide .


The molecule <smiles>[NH3+][C@@H](CCC(=O)N[C@H]1CSSC[C@H](NC(=O)CC[C@H]([NH3+])C([O-])=O)C(=O)NCC(=O)NCCC[NH2+]CCCCNC(=O)CNC1=O)C([O-])=O</smiles> <smiles>[NH3+][C@@H](CCC(=O)N[C@H]1CSSC[C@H](NC(=O)CC[C@H]([NH3+])C([O-])=O)C(=O)NCC(=O)NCCC[NH2+]CCCCNC(=O)CNC1=O)C([O-])=O</smiles> is conjugate acid of trypanothione disulfide. It is a conjugate acid of trypanothione disulfide . It is also related to or classified as ammonium ion derivative .


The molecule <smiles>O([C@@H]1C([C@]2([C@@]([C@@]3([C@]([C@]4(C([C@]5([C@@]([C@H](O)C4)(CCC(C5)(C)C)C(O[C@@H]6OC[C@H](O)[C@H](O)[C@H]6O[C@@H]7O[C@H]([C@H](O[C@@H]8OC[C@@H](O)[C@H](O[C@@H]9O[C@@H]([C@@H](O)[C@H](O)[C@H]9O)CO)[C@H]8O)[C@@H](O)[C@H]7O)C)=O)[H])=CC3)C)(CC2)C)[H])(CC1)C)[H])(C)C)C%10O[C@@H]([C@@H](O)[C@H](O)[C@H]%10O)C(O)=O</smiles> <smiles>O([C@@H]1C([C@]2([C@@]([C@@]3([C@]([C@]4(C([C@]5([C@@]([C@H](O)C4)(CCC(C5)(C)C)C(O[C@@H]6OC[C@H](O)[C@H](O)[C@H]6O[C@@H]7O[C@H]([C@H](O[C@@H]8OC[C@@H](O)[C@H](O[C@@H]9O[C@@H]([C@@H](O)[C@H](O)[C@H]9O)CO)[C@H]8O)[C@@H](O)[C@H]7O)C)=O)[H])=CC3)C)(CC2)C)[H])(CC1)C)[H])(C)C)C%10O[C@@H]([C@@H](O)[C@H](O)[C@H]%10O)C(O)=O</smiles> is Foetidissimoside C. It is also related to or classified as pentacyclic triterpenoid , 3-hydroxy steroid , triterpenoid saponin .


The molecule <smiles>CCO/N=C(/C1=NSC(=N1)NP(=O)(O)O)\\C(=O)N[C@H]2[C@@H]3N(C2=O)C(=C(CS3)SC4=NC(=CS4)C5=CC=[N+](C=C5)C)C(=O)[O-].CC(=O)O</smiles> is an acetate salt obtained by reaction of ceftaroline fosamil with one equivalent of acetic acid. A prodrug for ceftaroline, used for the treatment of adults with acute bacterial skin and skin structure infections. It has a role as an antibacterial drug, an antimicrobial agent and a prodrug. It contains a ceftaroline fosamil.


The molecule <smiles>CC(C)NCC(O)COc1cc(C)c(OC(C)=O)c(C)c1C</smiles> <smiles>CC(C)NCC(O)COc1cc(C)c(OC(C)=O)c(C)c1C</smiles> is 3-(Propan-2-ylamino)propane-1,2-diol in which the hydrogen of the primary hydroxy group is substituted by a 4-acetoxy-2,3,5-trimethylphenoxy group. A non-cardioselective beta-blocker, it is used to lower intra-ocular pressure in the management of open-angle glaucoma. It has the role of beta-adrenergic antagonist . It has the role of antihypertensive agent . It has the role of anti-arrhythmia drug . It has the role of antiglaucoma drug . It is also related to or classified as propanolamine  .  It is also related to or classified as acetate ester  . It is also related to or classified as aromatic ether , secondary amino compound .


The molecule <smiles>OBr</smiles> <smiles>OBr</smiles> is hypobromous acid. It is a conjugate acid of hypobromite . It is also related to or classified as bromine oxoacid .


The molecule <smiles>CCCCC[C@H](OO)\C=C\[C@H]1[C@H]2C[C@H](OO2)[C@@H]1C\C=C/CCCC([O-])=O</smiles> <smiles>CCCCC[C@H](OO)\C=C\[C@H]1[C@H]2C[C@H](OO2)[C@@H]1C\C=C/CCCC([O-])=O</smiles> is A prostaglandin carboxylic acid anion that is the conjugate base of prostaglandin G2, obtained by deprotonation of the carboxy group; major species at pH 7.3. It is also related to or classified as prostaglandin carboxylic acid anion , oxylipin anion .


The molecule <smiles>[Li+].[Li+].[O-]S([O-])(=O)=O</smiles> <smiles>[Li+].[Li+].[O-]S([O-])(=O)=O</smiles> is A metal sulfate in which the counterion is lithium and the ratio of lithium to sulfate is 2:1. It has the role of antidepressant . It is also related to or classified as metal sulfate .


The molecule <smiles>OC(CC/C=C/[C@@]1(C=CC[C@]2(O1)OC3(CC2)[C@@H](C[C@@]4([C@](O3)(C[C@](O4)([C@H]([C@@]5(O[C@@]([C@H](C[C@H]5C)C)(C(=C)C[C@@]67C[C@H](C[C@@H](O6)[C@@]8([C@](O7)(C[C@]9(O8)[C@H](C[C@H](CN9)C)C)[H])[H])C)[H])O)O)[H])[H])[H])C)[H])=O</smiles> <smiles>OC(CC/C=C/[C@@]1(C=CC[C@]2(O1)OC3(CC2)[C@@H](C[C@@]4([C@](O3)(C[C@](O4)([C@H]([C@@]5(O[C@@]([C@H](C[C@H]5C)C)(C(=C)C[C@@]67C[C@H](C[C@@H](O6)[C@@]8([C@](O7)(C[C@]9(O8)[C@H](C[C@H](CN9)C)C)[H])[H])C)[H])O)O)[H])[H])[H])C)[H])=O</smiles> is azaspiracid-1. It has the role of marine metabolite . It is also related to or classified as azaspiro compound .


The molecule <smiles>C1C(=O)[C@@H]([C@H]([C@@H]([C@@]1(CO)O)O)O)O</smiles> is a member of the class of cyclitols that is valiolone in which the stererocentre at position 5 has been inverted. It has a role as a bacterial metabolite. It is a cyclitol and an alicyclic ketone.


The molecule <smiles>CCCCCCCCCCCCCCCCCCCCCC(C)O</smiles> <smiles>CCCCCCCCCCCCCCCCCCCCCC(C)O</smiles> is A secondary fatty alcohol that is tricosane substituted by a hydroxy group at position 2. It has the role of plant metabolite . It is also related to or classified as secondary fatty alcohol  . It is also related to or classified as tricosanol .


The molecule <smiles>S(=O)(=O)(O[C@@H]1C(O)(O)[C@]23NC(N)=N[C@H]2[C@H](COC(=O)NS(=O)(=O)O)N(C(N3C1)=N)O)O</smiles> <smiles>S(=O)(=O)(O[C@@H]1C(O)(O)[C@]23NC(N)=N[C@H]2[C@H](COC(=O)NS(=O)(=O)O)N(C(N3C1)=N)O)O</smiles> is N-sulfocarbamoylgonyautoxin-4. It has the role of marine metabolite . It is also related to or classified as organic heterotricyclic compound .


The molecule <smiles>CCCNC(=O)N1[C@H]([C@H](C12CN(C2)C(=O)C3CCCCC3)C4=CC=CC=C4)CO</smiles> <smiles>CCCNC(=O)N1[C@H]([C@H](C12CN(C2)C(=O)C3CCCCC3)C4=CC=CC=C4)CO</smiles> is (2R,3R)-6-[cyclohexyl(oxo)methyl]-2-(hydroxymethyl)-3-phenyl-N-propyl-1,6-diazaspiro[3.3]heptane-1-carboxamide. It is also related to or classified as benzenes , ring assembly , azetidines .


The molecule <smiles>Nc1nc(Cl)nc2n(cnc12)[C@H]1C[C@H](O)[C@@H](CO)O1</smiles> <smiles>Nc1nc(Cl)nc2n(cnc12)[C@H]1C[C@H](O)[C@@H](CO)O1</smiles> is 2'-Deoxyadenosine in which the hydrogen at position 2 on the purine ring has been substituted by chlorine. It inhibits the synthesis and repair of DNA, particularly in  lymphocytes and monocytes, and is used as an antimetabolite antineoplastic drug for the treatment of lymphoid malignancies including  hairy-cell leukaemia and chronic lymphocytic leukaemia. It has the role of antineoplastic agent . It has the role of immunosuppressive agent . It is also related to or classified as purine 2'-deoxyribonucleoside  . It is also related to or classified as organochlorine compound  .


The molecule <smiles>S(=O)(=O)(O)NC(=O)OC[C@@H]1N(O)C(=N)N2CCC([C@@]32[C@H]1N=C(N)N3)(O)O</smiles> <smiles>S(=O)(=O)(O)NC(=O)OC[C@@H]1N(O)C(=N)N2CCC([C@@]32[C@H]1N=C(N)N3)(O)O</smiles> is Gonyautoxin-6. It has the role of marine metabolite . It is also related to or classified as organic heterotricyclic compound .


The molecule <smiles>N[C@@H](Cc1cc(I)c(Oc2ccc(OS(O)(=O)=O)c(I)c2)c(I)c1)C(O)=O</smiles> <smiles>N[C@@H](Cc1cc(I)c(Oc2ccc(OS(O)(=O)=O)c(I)c2)c(I)c1)C(O)=O</smiles> is 3,3',5-triiodo-L-thyronine sulfate. It has the role of human metabolite . Its functional parent is 3,3',5-triiodo-L-thyronine . It is also related to or classified as O-sulfoamino acid , aryl sulfate .


The molecule <smiles>C1=CC=C(C(=C1)C(=O)O)Cl</smiles> is a monochlorobenzoic acid having the chloro group at the 2-position. It has a role as a plant hormone and a plant metabolite. It is a monochlorobenzoic acid and a 2-halobenzoic acid. It is a conjugate acid of a 2-chlorobenzoate.


The molecule <smiles>CCCCCCCCCCCCCCCCCC(O)CCCCC</smiles> <smiles>CCCCCCCCCCCCCCCCCC(O)CCCCC</smiles> is A secondary fatty alcohol that is tricosane substituted by a hydroxy group at position 6. It is also related to or classified as secondary fatty alcohol  . It is also related to or classified as tricosanol .


The molecule <smiles>COCC(=O)N1[C@@H]([C@H]([C@H]1CO)C2=CC=CC=C2)CNC(=O)C3=CC=CC=N3</smiles> <smiles>COCC(=O)N1[C@@H]([C@H]([C@H]1CO)C2=CC=CC=C2)CNC(=O)C3=CC=CC=N3</smiles> is N-[[(2S,3R,4S)-4-(hydroxymethyl)-1-(2-methoxy-1-oxoethyl)-3-phenyl-2-azetidinyl]methyl]-2-pyridinecarboxamide. It is also related to or classified as benzenes , ring assembly , azetidines .


The molecule <smiles>[Be++].[O-]S([O-])(=O)=O</smiles> <smiles>[Be++].[O-]S([O-])(=O)=O</smiles> is A metal sulfate in which the metal is beryllium (in the +2 oxidation state) and the ratio of beryllium  to sulfate is 1:1. It has the role of NMR chemical shift reference compound . It has the role of allergen . It is also related to or classified as metal sulfate .


The molecule <smiles>COC1=C(C=C(C=C1)C2=C(C(=O)C3=C(O2)C(=C(C=C3)OC)OC)OC)O</smiles> is a tetramethoxyflavone that is flavone substituted by methoxy groups at positions 3, 7, 8 and 4' and a hydroxy group at position 3'. Isolated from the aerial parts of Mimosa diplotricha, it exhibits antiproliferative activity. It has a role as an antineoplastic agent and a plant metabolite. It is a monohydroxyflavone and a tetramethoxyflavone. It derives from a flavone.


The molecule <smiles>C1CN(CCN1C\C=C\c1ccccc1)C(c1ccccc1)c1ccccc1</smiles> <smiles>C1CN(CCN1C\C=C\c1ccccc1)C(c1ccccc1)c1ccccc1</smiles> is cinnarizine. It has the role of geroprotector . It has the role of H1-receptor antagonist . It has the role of histamine antagonist . It has the role of calcium channel blocker . 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 N-alkylpiperazine , diarylmethane , olefinic compound .


The molecule <smiles>Clc1cc(Cl)cc(c1)-c1cc(Cl)cc(Cl)c1</smiles> <smiles>Clc1cc(Cl)cc(c1)-c1cc(Cl)cc(Cl)c1</smiles> is A tetrachlorobiphenyl that is biphenyl in which both phenyl groups are substituted by chlorines at positions 3 and 5. It is also related to or classified as dichlorobenzene  . It is also related to or classified as tetrachlorobiphenyl .


The molecule <smiles>CC(C=O)O</smiles> is a member of the class of propanals obtained by the reduction of the carboxylic group of lactic acid (2-hydroxypropanoic acid). It has a role as a mouse metabolite. It is a hydroxyaldehyde and a member of propanals.


The molecule <smiles>O=C1C2=C(O)C(=CC=C2C(=O)C=3C1=CC4=C(O)C=C(C=C4C3O)C)C5OC(C(OC6OC(C(OC7OC(C(OC8OC(C(=O)C=C8)C)CC7)C)C(C6)O)C)C(C5)O)C</smiles> <smiles>O=C1C2=C(O)C(=CC=C2C(=O)C=3C1=CC4=C(O)C=C(C=C4C3O)C)C5OC(C(OC6OC(C(OC7OC(C(OC8OC(C(=O)C=C8)C)CC7)C)C(C6)O)C)C(C5)O)C</smiles> is Galtamycin B. It is also related to or classified as quinone  . It is also related to or classified as tetracenes .


The molecule <smiles>CC/C=C\\C/C=C\\C/C=C\\C/C=C\\C/C=C\\CCCCCCCCCCCCCCCCC[C@H](CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)([O-])OP(=O)([O-])OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)([O-])[O-])O)O</smiles> is a 3-hydroxy fatty acyl-CoA(4-) obtained by deprotonation of the phosphate and diphosphate OH groups of (3R,21Z,24Z,27Z,30Z,33Z)-3-hydroxyhexatriacontapentaenoyl-CoA; major species at pH 7.3. It is a 3-hydroxy fatty acyl-CoA(4-), a (R)-3-hydroxyacyl-CoA(4-) and an 11,12-saturated fatty acyl-CoA(4-). It is a conjugate base of a (3R,21Z,24Z,27Z,30Z,33Z)-3-hydroxyhexatriacontapentaenoyl-CoA.


The molecule <smiles>S(OC1=C(O)C=C([C@@H](O)C[NH3+])C=C1)([O-])(=O)=O</smiles> <smiles>S(OC1=C(O)C=C([C@@H](O)C[NH3+])C=C1)([O-])(=O)=O</smiles> is (R)-noradrenaline 4'-O-sulfate zwitterion. It is also related to or classified as zwitterion  . It is also related to or classified as organosulfate oxoanion  .


The molecule <smiles>CCCCCCCCCCCCCCCCCC(O)CCCC</smiles> <smiles>CCCCCCCCCCCCCCCCCC(O)CCCC</smiles> is A secondary fatty alcohol that is docosane substituted by a hydroxy group at position 5. It is also related to or classified as secondary fatty alcohol  . It is also related to or classified as docosanol .


The molecule <smiles>S(=O)(=O)(O[C@@H]1C(O)(O)[C@]23NC(N)=N[C@H]2[C@H](COC(=O)N)N(C(N3C1)=N)O)O</smiles> <smiles>S(=O)(=O)(O[C@@H]1C(O)(O)[C@]23NC(N)=N[C@H]2[C@H](COC(=O)N)N(C(N3C1)=N)O)O</smiles> is Gonyautoxin-4. It has the role of marine metabolite . It is also related to or classified as organic heterotricyclic compound .


The molecule <smiles>CN(C[C@@H]1[C@H]([C@@H](N1C(=O)C2CCC2)CO)C3=CC=CC=C3)C(=O)C4=CC=CC=N4</smiles> <smiles>CN(C[C@@H]1[C@H]([C@@H](N1C(=O)C2CCC2)CO)C3=CC=CC=C3)C(=O)C4=CC=CC=N4</smiles> is N-[[(2S,3R,4R)-1-[cyclobutyl(oxo)methyl]-4-(hydroxymethyl)-3-phenyl-2-azetidinyl]methyl]-N-methyl-2-pyridinecarboxamide. It is also related to or classified as benzenes , ring assembly , azetidines .


The molecule <smiles>N=1C(=CNC1)C[C@@H]([NH2+]CC[C@H]([NH3+])C(=O)[O-])C(=O)[O-]</smiles> <smiles>N=1C(=CNC1)C[C@@H]([NH2+]CC[C@H]([NH3+])C(=O)[O-])C(=O)[O-]</smiles> is (2S)-2-ammonio-4-{[(1R)-1-carboxy-2-(1H-imidazol-4-yl)ethyl]ammonio}butanoate. Its functional parent is staphylopine(1-) . It is also related to or classified as organic molecular entity .


The molecule <smiles>C[NH+]1[C@H]2C[C@@H](C[C@@H]1[C@H](C2)O)OC(=O)C(CO)C3=CC=CC=C3</smiles> is conjugate acid of (6S)-6-hydroxyhyoscyamine arising from protonation of the bridging tertiary amino function. It is a conjugate acid of a (6S)-6-hydroxyhyoscyamine.


The molecule <smiles>CN1[C@]2(CC[C@@]1(CC(C2)([H])OC(C(CO)(C3=CC=CC=C3)[H])=O)[H])[H].CN1[C@]2(CC[C@@]1(CC(C2)([H])OC(C(CO)(C3=CC=CC=C3)[H])=O)[H])[H].OS(O)(=O)=O</smiles> <smiles>CN1[C@]2(CC[C@@]1(CC(C2)([H])OC(C(CO)(C3=CC=CC=C3)[H])=O)[H])[H].CN1[C@]2(CC[C@@]1(CC(C2)([H])OC(C(CO)(C3=CC=CC=C3)[H])=O)[H])[H].OS(O)(=O)=O</smiles> is atropine sulfate. It has the role of muscarinic agonist . Its functional parent is atropine . It is also related to or classified as organic molecular entity .


The molecule <smiles>C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](O)[C@H](NC(C)=O)[C@@H](O)[C@@H]2O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)[C@H](O)[C@H]2NC(C)=O)[C@@H](O)[C@H](O)[C@@H]1O</smiles> <smiles>C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](O)[C@H](NC(C)=O)[C@@H](O)[C@@H]2O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)[C@H](O)[C@H]2NC(C)=O)[C@@H](O)[C@H](O)[C@@H]1O</smiles> is A branched amino tetrasaccharide consisting of a beta-D-Man-(1->4)-beta-D-GlcNAc-(1->4)-beta-D-GlcNAc trisaccharide unit, to the GlcNAc residue at the reducing end of which is also linked (1->6) an alpha-L-fucosyl residue. It is also related to or classified as glucosamine oligosaccharide , amino tetrasaccharide .


The molecule <smiles>O=C1C=2C=3C(=C4C(C5(O)C=CC(C5C46OC=7C=8C(C=CC7)=CC=CC8O6)=O)=CC3C=C1)C=CC2O</smiles> <smiles>O=C1C=2C=3C(=C4C(C5(O)C=CC(C5C46OC=7C=8C(C=CC7)=CC=CC8O6)=O)=CC3C=C1)C=CC2O</smiles> is Spiropreubetaione B. It is also related to or classified as ortho- and peri-fused tricyclic hydrocarbon .


The molecule <smiles>C[C@H]1[C@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@@H]([C@@H](C)O[C@H]([C@H]2O[C@@H]3[C@H]([C@H]([C@H]([C@H](C)O3)O[C@H]4[C@@H]([C@@H]([C@@H](CO4)O)O)O)O)O)OC([C@@]56CCC(C)(C)C[C@]6(C7=CC[C@]8([H])[C@]9(C)CC[C@H]([C@](C)(C=O)[C@@]9(CC[C@]8(C)[C@]7(C)C[C@@H]5O)[H])O[C@H]%10[C@@H]([C@H]([C@H]([C@H](C(=O)O)O%10)O)O[C@@H]%11[C@H]([C@H]([C@@H](CO%11)O)O)O)O[C@H]%12[C@@H]([C@H]([C@@H]([C@@H](CO)O%12)O)O)O)[H])=O)O)O)O)O</smiles> <smiles>C[C@H]1[C@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@@H]([C@@H](C)O[C@H]([C@H]2O[C@@H]3[C@H]([C@H]([C@H]([C@H](C)O3)O[C@H]4[C@@H]([C@@H]([C@@H](CO4)O)O)O)O)O)OC([C@@]56CCC(C)(C)C[C@]6(C7=CC[C@]8([H])[C@]9(C)CC[C@H]([C@](C)(C=O)[C@@]9(CC[C@]8(C)[C@]7(C)C[C@@H]5O)[H])O[C@H]%10[C@@H]([C@H]([C@H]([C@H](C(=O)O)O%10)O)O[C@@H]%11[C@H]([C@H]([C@@H](CO%11)O)O)O)O[C@H]%12[C@@H]([C@H]([C@@H]([C@@H](CO)O%12)O)O)O)[H])=O)O)O)O)O</smiles> is Luperoside K. It is also related to or classified as pentacyclic triterpenoid , triterpenoid saponin .


The molecule <smiles>CC(C)C(=O)OC(CC(=O)[O-])C[N+](C)(C)C</smiles> is an O-acylcarnitine having isobutyryl as the acyl substituent. It has a role as a human metabolite. It derives from an isobutyric acid.


The molecule <smiles>C[C@@H]1CN(C(=O)C2=C(N=CC(=C2)C3=CCCCC3)O[C@H]1CN(C)C(=O)C4=CC(=CC=C4)F)[C@@H](C)CO</smiles> <smiles>C[C@@H]1CN(C(=O)C2=C(N=CC(=C2)C3=CCCCC3)O[C@H]1CN(C)C(=O)C4=CC(=CC=C4)F)[C@@H](C)CO</smiles> is N-[[(2R,3R)-8-(1-cyclohexenyl)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-3-fluoro-N-methylbenzamide. It is also related to or classified as organohalogen compound  . It is also related to or classified as carbonyl compound .


The molecule <smiles>O([C@@H]1[C@@]([C@]2([C@@]([C@@]3([C@]([C@]4(C([C@]5([C@@]([C@H](O)C4)(CCC(C5)(C)C)C(O[C@@H]6OC[C@H](O)[C@H](O)[C@H]6O[C@@H]7O[C@H]([C@H](O[C@@H]8OC[C@@H](O)[C@H](O[C@@H]9OC[C@@H](O)[C@H](O)[C@H]9O)[C@H]8O)[C@@H](O)[C@H]7O)C)=O)[H])=CC3)C)(CC2)C)[H])(CC1)C)[H])(C)C=O)[C@@H]%10O[C@@H]([C@@H](O)[C@H](O[C@@H]%11O[C@@H]([C@@H](O)[C@H](O)[C@H]%11O)CO)[C@H]%10O[C@@H]%12O[C@@H]([C@H](O)[C@H](O)[C@H]%12O)CO)CO</smiles> <smiles>O([C@@H]1[C@@]([C@]2([C@@]([C@@]3([C@]([C@]4(C([C@]5([C@@]([C@H](O)C4)(CCC(C5)(C)C)C(O[C@@H]6OC[C@H](O)[C@H](O)[C@H]6O[C@@H]7O[C@H]([C@H](O[C@@H]8OC[C@@H](O)[C@H](O[C@@H]9OC[C@@H](O)[C@H](O)[C@H]9O)[C@H]8O)[C@@H](O)[C@H]7O)C)=O)[H])=CC3)C)(CC2)C)[H])(CC1)C)[H])(C)C=O)[C@@H]%10O[C@@H]([C@@H](O)[C@H](O[C@@H]%11O[C@@H]([C@@H](O)[C@H](O)[C@H]%11O)CO)[C@H]%10O[C@@H]%12O[C@@H]([C@H](O)[C@H](O)[C@H]%12O)CO)CO</smiles> is Dubioside F. It is also related to or classified as pentacyclic triterpenoid , triterpenoid saponin .


The molecule <smiles>CC(=CCC1=C(C(=CC2=C1C(=O)C3=C(O2)C=C(C4=C3OC(CC4)(C)C)O)O)OC)C</smiles> is an organic heterotetracyclic compound that is 3,4-dihydro-2H,12H-pyrano[2,3-a]xanthen-12-one substituted by hydroxy groups at positions 5 and 9, a methoxy group at position 10, two methyl groups at position 2, a prenyl group at position 11 and an oxo group at position 12. It has a role as a plant metabolite. It is a member of phenols, an organic heterotetracyclic compound, a cyclic ketone and a cyclic ether.


The molecule <smiles>[Co++].[O-]S([O-])(=O)=O</smiles> <smiles>[Co++].[O-]S([O-])(=O)=O</smiles> is A compound of cobalt and sulfate in which the ratio of cobalt (+2 oxidation state) to sulfate is 1:1. It is also related to or classified as metal sulfate .


The molecule <smiles>COC(=O)\C=C/C(=O)OC</smiles> <smiles>COC(=O)\C=C/C(=O)OC</smiles> is A maleate ester resulting from the formal condensation of both carboxy groups of maleic acid with methanol. It is commonly used as a dienophile for Diels-Alder-type cycloaddition reactions in organic synthesis. Its functional parent is methanol . It is also related to or classified as methyl ester  .  It is also related to or classified as diester  . It is also related to or classified as maleate ester .


The molecule <smiles>O=C1N[C@@H](C(=O)OC)CC1</smiles> <smiles>O=C1N[C@@H](C(=O)OC)CC1</smiles> is L-5-oxoproline methyl ester. It is also related to or classified as alpha-amino acid ester  .


The molecule <smiles>CC(=CCC1=CC(=C(C=C1OC)O)C(=O)/C=C/C2=CC=C(C=C2)OC)C</smiles> is a member if the class of chalcones that is trans-chalcone substituted by a prenyl group at position 5', a hydroxy group at position 2' and methoxy groups at positions 4' and 4 respectively. It has a role as a plant metabolite. It is a member of chalcones, a member of phenols and an aromatic ether.


The molecule <smiles>C[C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O[C@@H]2[C@@H]([C@H](C)O[C@H]([C@H]2O[C@@H]3[C@H]([C@@H]([C@H]([C@@H](C)O3)O[C@H]4[C@@H]([C@H]([C@H](CO4)O)O[C@H]5[C@H]([C@@H]([C@@H](CO5)O)O)O)O)O)O)OC([C@]67CCC(C)(C)C[C@@]7(C8=CC[C@@]9([H])[C@@]%10(C)CC[C@@H]([C@@](C)(C=O)[C@]%10(CC[C@@]9(C)[C@@]8(C)C[C@H]6O)[H])O[C@H]%11[C@@H]([C@H]([C@@H]([C@H](C(=O)O)O%11)O)O[C@@H]%12[C@H]([C@H]([C@H](CO%12)O)O)O)O[C@H]%13[C@@H]([C@@H]([C@H]([C@H](CO)O%13)O)O)O)[H])=O)O)O)O)O</smiles> <smiles>C[C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O[C@@H]2[C@@H]([C@H](C)O[C@H]([C@H]2O[C@@H]3[C@H]([C@@H]([C@H]([C@@H](C)O3)O[C@H]4[C@@H]([C@H]([C@H](CO4)O)O[C@H]5[C@H]([C@@H]([C@@H](CO5)O)O)O)O)O)O)OC([C@]67CCC(C)(C)C[C@@]7(C8=CC[C@@]9([H])[C@@]%10(C)CC[C@@H]([C@@](C)(C=O)[C@]%10(CC[C@@]9(C)[C@@]8(C)C[C@H]6O)[H])O[C@H]%11[C@@H]([C@H]([C@@H]([C@H](C(=O)O)O%11)O)O[C@@H]%12[C@H]([C@H]([C@H](CO%12)O)O)O)O[C@H]%13[C@@H]([C@@H]([C@H]([C@H](CO)O%13)O)O)O)[H])=O)O)O)O)O</smiles> is Luperoside L. It is also related to or classified as pentacyclic triterpenoid , triterpenoid saponin .


The molecule <smiles>CCCCCCCCCC(=O)OCC</smiles> is a fatty acid ethyl ester of decanoic acid. It has a role as a metabolite. It is a fatty acid ethyl ester and a decanoate ester.


The molecule <smiles>Nc1c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2ncn1=O</smiles> <smiles>Nc1c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2ncn1=O</smiles> is adenosine 1-oxide.  It is also related to or classified as N-oxide  . It is also related to or classified as adenosines .


The molecule <smiles>C[C@H](C[C@H]([C@@H](C(C)(C)O[C@H]1[C@@H]([C@H]([C@@H]([C@@H](CO)O1)O)O)O)O)O)[C@]2(CC[C@@]3(C)[C@@]4(CC=C5[C@](CC[C@@H](C5(C)C)O[C@H]6[C@@H](C([C@@H]([C@@H](CO[C@H]7[C@@H]([C@H]([C@@H]([C@@H](CO)O7)O)O)O)O6)O)O)O)([H])[C@]4(C)CC[C@]23C)[H])[H]</smiles> <smiles>C[C@H](C[C@H]([C@@H](C(C)(C)O[C@H]1[C@@H]([C@H]([C@@H]([C@@H](CO)O1)O)O)O)O)O)[C@]2(CC[C@@]3(C)[C@@]4(CC=C5[C@](CC[C@@H](C5(C)C)O[C@H]6[C@@H](C([C@@H]([C@@H](CO[C@H]7[C@@H]([C@H]([C@@H]([C@@H](CO)O7)O)O)O)O6)O)O)O)([H])[C@]4(C)CC[C@]23C)[H])[H]</smiles> is 23(R),24(S),25-trihydroxycucurbit-5-ene 3-O-{[beta-glucopyranosyl(1->6)]-O-beta-glucopyranosyl}-25-O-beta-glucopyranoside. It is also related to or classified as beta-D-glucoside  . It is also related to or classified as 3-hydroxy steroid , disaccharide derivative .


The molecule <smiles>CCCCCCCCCCCCCCCC(=O)OC(CCCCCCC)CCCCCCCCCC(=O)O</smiles> is a FAHFA obtained by formal condensation of the carboxy group of palmitic acid with the hydroxy group of 11-hydroxystearic acid. It has a role as an anti-inflammatory agent, a hypoglycemic agent and a human metabolite. It is a FAHFA and a long-chain fatty acid. It derives from a hexadecanoic acid and an octadecanoic acid. It is a conjugate acid of an 11-PAHSA(1-).


The molecule <smiles>CCCCCCCCCCCCCCCC(O)CCCCCC</smiles> <smiles>CCCCCCCCCCCCCCCC(O)CCCCCC</smiles> is A secondary fatty alcohol that is docosane substituted by a hydroxy group at position 7. It is also related to or classified as secondary fatty alcohol  . It is also related to or classified as docosanol .


The molecule <smiles>O([C@@H]1C(C=2[C@@]([C@@]3([C@]([C@]4([C@@]([C@](CC4)([C@H](C)/C=C/[C@@](CO)(C)O)[H])(CC3)C)C)(CC2)[H])C)(CC1)C)(C)C)[C@@H]5O[C@@H]([C@H]([C@@H]([C@H]5O)O)O)CO[C@H]6[C@@H]([C@@H](O)[C@H](O)[C@H](O6)CO)O</smiles> <smiles>O([C@@H]1C(C=2[C@@]([C@@]3([C@]([C@]4([C@@]([C@](CC4)([C@H](C)/C=C/[C@@](CO)(C)O)[H])(CC3)C)C)(CC2)[H])C)(CC1)C)(C)C)[C@@H]5O[C@@H]([C@H]([C@@H]([C@H]5O)O)O)CO[C@H]6[C@@H]([C@@H](O)[C@H](O)[C@H](O6)CO)O</smiles> is (3beta,9beta,10alpha,22E,24R)-24,25-dihydroxy-4,4,9,14-tetramethyl-19-norcholesta-5,22-dien-3-yl 6-O-beta-D-glucopyranosyl-beta-D-glucopyranoside. It is also related to or classified as beta-D-glucoside  . It is also related to or classified as 3-hydroxy steroid , disaccharide derivative .


The molecule <smiles>CC(=CCC/C(=C/CC/C(=C/[C@H]1[C@@H]([C@@]1(C)CC/C=C(\\C)/CCC=C(C)C)COP(=O)(O)OP(=O)(O)O)/C)/C)C</smiles> is a triterpenyl phosphate that is presqualene in which the hydroxy hydrogen has been replaced by a diphosphate group. It has a role as a mouse metabolite. It is a triterpenyl phosphate and a triterpenoid. It is a conjugate acid of a presqualene diphosphate(3-).


The molecule <smiles>S(OC1=C(O)C=C([C@@H](O)C[NH2+]C)C=C1)([O-])(=O)=O</smiles> <smiles>S(OC1=C(O)C=C([C@@H](O)C[NH2+]C)C=C1)([O-])(=O)=O</smiles> is (R)-adrenaline 4'-O-sulfate zwitterion. It is also related to or classified as zwitterion  . It is also related to or classified as organosulfate oxoanion  .


The molecule <smiles>CCCCC(O)CCC</smiles> <smiles>CCCCC(O)CCC</smiles> is A secondary alcohol that is octane substituted by a hydroxy group at position 4. It has the role of xenobiotic metabolite . It is also related to or classified as secondary alcohol  . It is also related to or classified as octanol .


The molecule <smiles>C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CCC4=CC(=C(C=C34)O)OC</smiles> is a 17beta-hydroxy steroid that is 17beta-estradiol in which the hydrogen at position 2 has been replaced by a hydroxy group and the phenolic hydrogen at position 3 has bee replaced by a methyl group. It has a role as a human urinary metabolite. It is a 2-hydroxy steroid, a 17beta-hydroxy steroid, a C19-steroid and an aromatic ether. It derives from a 17beta-estradiol.


The molecule <smiles>C(C#N)C(C(=O)O)N</smiles> is an alanine derivative obtained by replacement of one of the methyl hydrogens in alanine with a cyano group It is an alanine derivative, an aliphatic nitrile and a non-proteinogenic alpha-amino acid.


The molecule <smiles>CN(C[C@@H]1[C@@H]([C@@H](N1CC2=CC=CC=N2)CO)C3=CC=CC=C3)S(=O)(=O)C</smiles> <smiles>CN(C[C@@H]1[C@@H]([C@@H](N1CC2=CC=CC=N2)CO)C3=CC=CC=C3)S(=O)(=O)C</smiles> is N-[[(2S,3S,4R)-4-(hydroxymethyl)-3-phenyl-1-(2-pyridinylmethyl)-2-azetidinyl]methyl]-N-methylmethanesulfonamide. It is also related to or classified as benzenes , ring assembly , azetidines .


The molecule <smiles>O=C1C2=C(C3=C(NC4=C3C[C@@H]5CC[C@@]6([C@@]([C@@]45C)(CC[C@H]7[C@@]68O[C@@H]8[C@@H]9O[C@H](CC(C)C)OC([C@H]9O7)(C)C)C)O)C=C2)C[C@@H]%10[C@@H]1C(OC%10(C)C)(C)C</smiles> <smiles>O=C1C2=C(C3=C(NC4=C3C[C@@H]5CC[C@@]6([C@@]([C@@]45C)(CC[C@H]7[C@@]68O[C@@H]8[C@@H]9O[C@H](CC(C)C)OC([C@H]9O7)(C)C)C)O)C=C2)C[C@@H]%10[C@@H]1C(OC%10(C)C)(C)C</smiles> is Lolitrem C. It is also related to or classified as organic heterotricyclic compound , organooxygen compound .


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


The molecule <smiles>C([C@@H]1[C@H]([C@@H]([C@H](C(O1)O)O)[NH3+])O)OP(=O)([O-])[O-]</smiles> is an organophosphate oxoanion obtained from 3-amino-3-deoxy-6-O-phosphono-D-glucopyranose by removal of both protons from the phosphate group and protonation of the amino group. The major species at pH 7.3. It is a conjugate base of a 3-amino-3-deoxy-6-O-phosphono-D-glucopyranose.


The molecule <smiles>Nc1[n+]([O-])cnc2n(cnc12)[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]1O</smiles> <smiles>Nc1[n+]([O-])cnc2n(cnc12)[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]1O</smiles> is adenosine 5'-monophosphate 1-oxide. Its functional parent is adenosine 5'-monophosphate . It is also related to or classified as purine N-oxides .


The molecule <smiles>CCCCCCCCCCCCCC[C@H]([C@H]([C@H](CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)NC(=O)CCCCCCCCCC2=CC=CC=C2)O)O</smiles> is a glycophytoceramide having an alpha-D-galactopyranosyl residue at the O-1 position and a 10-phenyldecanoyl group attached to the nitrogen. It derives from an alpha-D-galactose.


The molecule <smiles>S(=O)(=O)(O[C@@H]1C(O)(O)[C@]23NC(N)=N[C@H]2[C@H](CO)N(C(N3C1)=N)O)O</smiles> <smiles>S(=O)(=O)(O[C@@H]1C(O)(O)[C@]23NC(N)=N[C@H]2[C@H](CO)N(C(N3C1)=N)O)O</smiles> is Decarbamoylgonyautoxin-4. It has the role of marine metabolite . It is also related to or classified as organic heterotricyclic compound .


The molecule <smiles>C[C@H](CCC(=O)NCCC[N+](C)(C)CCCS([O-])(=O)=O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C</smiles> <smiles>C[C@H](CCC(=O)NCCC[N+](C)(C)CCCS([O-])(=O)=O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C</smiles> is 3-[(3-cholamidopropyl)dimethylammonio]propane-1-sulfonate. Its functional parent is cholic acid . It is also related to or classified as ammonium betaine .


The molecule <smiles>[C@H]1([C@H](C(=C(OC1O)C(=O)O)O)O)O</smiles> is a member of the class of glucoronic acids that is beta-D-glucuronic acid which has been dehydrogenated to introduce a double bond between positions 4 and 5. It is a member of glucuronic acids and an alpha,beta-unsaturated monocarboxylic acid.


The molecule <smiles>Cl[Zr](Cl)=O</smiles> <smiles>Cl[Zr](Cl)=O</smiles> is A zirconium coordination entity consisting of zirconium(IV) bound to oxygen via a double bond and to two chlorines. It is also related to or classified as zirconium coordination entity .


The molecule <smiles>[O-]Br</smiles> <smiles>[O-]Br</smiles> is A monovalent inorganic anion obtained by deprotonation of hypobromous acid. It is also related to or classified as bromine oxoanion , monovalent inorganic anion .


The molecule <smiles>CCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)[C@@H](/C=C/CCCCCCCCC(C)CC)O</smiles> is a beta-D-glucosylceramide in which a beta-D-glucosyl residue attached to the primary hydroxyl group of N-tricosanoyl-14-methylhexadecasphingosine. It is a metabolite of the nematode Caenorhabditis elegans. It has a role as a Caenorhabditis elegans metabolite. It derives from a 14-methylhexadecasphingosine and a tricosanoic acid.


The molecule <smiles>[Cr+3].[Cr+3].[O-]S([O-])(=O)=O.[O-]S([O-])(=O)=O.[O-]S([O-])(=O)=O</smiles> <smiles>[Cr+3].[Cr+3].[O-]S([O-])(=O)=O.[O-]S([O-])(=O)=O.[O-]S([O-])(=O)=O</smiles> is A compound of chromium and sulfate in which the ratio of chromium (in the +3 oxidation state) to sulfate is 2:3. It is also related to or classified as metal sulfate .


The molecule <smiles>CCCCCCCCCCCCCCCCCCC(O)CC</smiles> <smiles>CCCCCCCCCCCCCCCCCCC(O)CC</smiles> is A secondary fatty alcohol that is henicosane substituted by a hydroxy group at position 3. It is also related to or classified as secondary fatty alcohol  . It is also related to or classified as henicosanol .


The molecule <smiles>CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@@H]1O)CO)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)NC(=O)C)O</smiles> is an amino disaccharide consisting of N-acetyl-alpha-D-galactosamine having an N-acetyl-D-galactosaminyl residue attached at the 4-position via a beta-linkage. Important epitope forming part of the O-polysaccharides of some Gram-negative bacteria. It has a role as an epitope.


The molecule <smiles>OC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F</smiles> <smiles>OC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F</smiles> is A fluoroalkanoic acid that is perfluorinated heptanoic acid. It has the role of xenobiotic . It has the role of environmental contaminant . Its functional parent is perfluoroheptane . Its functional parent is heptanoic acid . It is also related to or classified as fluoroalkanoic acid .


The molecule <smiles>CCCC[C@@H](C(=O)OC)NC(=O)C=[N+]=[N-]</smiles> is a diazonium betaine obtained by the deprotonation of the hydroxy group of (Z)-2-hydroxy-2-{[(2S)-1-methoxy-1-oxohexan-2-yl]amino}ethenediazonium. It has a role as a metabolite. It is a diazonium betaine and a methyl ester.


The molecule <smiles>C[C@@H]1OC(O[C@@H]2[C@@H](NC(C)=O)C(OC[C@@H](O)[C@H](O)[C@H](OC3O[C@H](CO)[C@@H](OC4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4NC(C)=O)[C@H](OC4O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]4O)[C@H]3NC(C)=O)[C@H](CO)NC(C)=O)O[C@H](CO)[C@H]2OC2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2NC(C)=O)[C@@H](O)[C@H](O)[C@@H]1O</smiles> <smiles>C[C@@H]1OC(O[C@@H]2[C@@H](NC(C)=O)C(OC[C@@H](O)[C@H](O)[C@H](OC3O[C@H](CO)[C@@H](OC4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4NC(C)=O)[C@H](OC4O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]4O)[C@H]3NC(C)=O)[C@H](CO)NC(C)=O)O[C@H](CO)[C@H]2OC2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2NC(C)=O)[C@@H](O)[C@H](O)[C@@H]1O</smiles> is an oligosaccharide derivative consisting of -D-GalNAc-ol at the reducing end with two[D-GalNAc-(1->4)-[L-Fuc-(1->3)]-D-GlcNAc] moieties attached via (1->3)- and (1->6)-linkages. It has the role of carbohydrate allergen . It is also related to or classified as oligosaccharide derivative .


The molecule <smiles>CCCCCCCCCCCCC(O)CCCCCCCC</smiles> <smiles>CCCCCCCCCCCCC(O)CCCCCCCC</smiles> is A secondary fatty alcohol that is henicosane substituted by a hydroxy group at position 9. It is also related to or classified as secondary fatty alcohol  . It is also related to or classified as henicosanol .


The molecule <smiles>C[N+]1=CC2=C(C=C1)C3=C(N2)C=CC(=C3)O</smiles> is an organic cation consisting of beta-carboline having methyl and hydroxy substituents at the 2- and 6-positions respectively. It is an organic cation and a member of beta-carbolines.


The molecule <smiles>C1=CC(=CC=2C(=CNC12)CC[NH3+])OS(=O)([O-])=O</smiles> <smiles>C1=CC(=CC=2C(=CNC12)CC[NH3+])OS(=O)([O-])=O</smiles> is serotonin O-sulfate zwitterion. It is also related to or classified as zwitterion  . It is also related to or classified as organosulfate oxoanion  .


The molecule <smiles>O=C(O)C1=C(O)C(=C(OCC=C(C)C)C(=C1C)C)C</smiles> <smiles>O=C(O)C1=C(O)C(=C(OCC=C(C)C)C(=C1C)C)C</smiles> is Pleoniol C. Its functional parent is salicylic acid . It is also related to or classified as hydroxybenzoic acid .


The molecule <smiles>CCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O[C@@H]5O[C@H](CO)[C@H](O)[C@H](OS(O)(=O)=O)[C@H]5O)[C@H]4NC(C)=O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)\C=C\CCCCCCCCCCCCC</smiles> <smiles>CCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O[C@@H]5O[C@H](CO)[C@H](O)[C@H](OS(O)(=O)=O)[C@H]5O)[C@H]4NC(C)=O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)\C=C\CCCCCCCCCCCCC</smiles> is A beta-D-Gal3S-(1->3)-beta-D-GalNAc-(1->3)-alpha-D-Gal-(1->4)-beta-D-Gal-(1->4)-beta-D-Glc-(1<->1')-Cer in which the acyl and alkyl chains are respectively tetracosanoyl and 3-hydroxyoctadec-4-en-1-yl. It is also related to or classified as beta-D-Gal3S-(1->3)-beta-D-GalNAc-(1->3)-alpha-D-Gal-(1->4)-beta-D-Gal-(1->4)-beta-D-Glc-(1<->1')-Cer  .


The molecule <smiles>Nc1ccc(cc1)-c1ccc(O)cc1</smiles> <smiles>Nc1ccc(cc1)-c1ccc(O)cc1</smiles> is an aminobiphenyl whose amino group is at C-4 and is hydroxylated at C-4'. Its functional parent is biphenyl-4-amine . It is also related to or classified as aminobiphenyl .


The molecule <smiles>CC(=CC(=O)NCC(C1=CC(=O)C2=NC=CC3=C2C1=NC4=CC=CC=C34)O)C</smiles> is an alkaloid that is an enamide obtained by the formal condensation of 3-methylbut-2-enoic acid with 6-(2-amino-1-hydroxyethyl)-4H-pyrido[2,3,4-kl]acridin-4-one. It is isolated from the Okinawan marine tunicate Cystodytes dellechiajei and exhibits cytotoxicity against human epidermoid carcinoma KB cells. It has a role as a metabolite and an antineoplastic agent. It is an alkaloid, an organic heterotetracyclic compound, an enamide, a secondary alcohol, an enone and a secondary carboxamide. It derives from a 3-methylbut-2-enoic acid.


The molecule <smiles>[H][C@]1(COC(=O)C1)[C@@]1([H])CC[C@]2([H])[C@]3([H])CCC4CCCC[C@]4(C)[C@@]3([H])CC[C@]12C</smiles> <smiles>[H][C@]1(COC(=O)C1)[C@@]1([H])CC[C@]2([H])[C@]3([H])CCC4CCCC[C@]4(C)[C@@]3([H])CC[C@]12C</smiles> is cardanolide. It is also related to or classified as steroid lactone , steroid fundamental parent .


The molecule <smiles>CC(C)CC#CC1=CC=C(C=C1)[C@H]2[C@H]3CN(CC(=O)N3[C@@H]2CO)C(=O)NC4=C(C=CC(=C4)F)F</smiles> <smiles>CC(C)CC#CC1=CC=C(C=C1)[C@H]2[C@H]3CN(CC(=O)N3[C@@H]2CO)C(=O)NC4=C(C=CC(=C4)F)F</smiles> is (6S,7S,8S)-N-(2,5-difluorophenyl)-8-(hydroxymethyl)-7-[4-(4-methylpent-1-ynyl)phenyl]-2-oxo-1,4-diazabicyclo[4.2.0]octane-4-carboxamide. It is also related to or classified as benzenes , ring assembly , azetidines .


The molecule <smiles>CCCCC[C@@H](/C=C/C=C\\CCCCCCCC(=O)[O-])OO</smiles> is conjugate base of 13(S)-HPODE arising from deprotonation of the carboxylic acid function. It has a role as a human metabolite. It is a conjugate base of a 13(S)-HPODE. It is an enantiomer of a 13(R)-HPODE(1-).


The molecule <smiles>C[C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](C3=CC4=C(C(=C3C5=C2C=C(C(=C5O)C(=O)N[C@H](C)C(=O)O)C)O)C(=O)C6=C(C4=O)C(=CC(=C6)OC)O)O)O)O[C@H]7[C@@H]([C@H]([C@@H](CO7)O)O)O)NC</smiles> is a member of the class of pradimicins that is isolated from the cultured broth of Actinomadura hibisca No. P157-2 (ATCC 53557). It is a disaccharide derivative, a polyphenol, an aromatic ether, a secondary alcohol, a pradimicin, a L-alanine derivative, a member of p-quinones and a carboxylic acid. It derives from a D-alanine.


The molecule <smiles>CCCCCCCCCCCCCCCCCCCC(C)O</smiles> <smiles>CCCCCCCCCCCCCCCCCCCC(C)O</smiles> is A secondary fatty alcohol that is henicosane substituted by a hydroxy group at position 2. It has the role of mammalian metabolite . It is also related to or classified as secondary fatty alcohol  . It is also related to or classified as henicosanol .


The molecule <smiles>C[C@@H]1CN(C(=O)C2=C(N=CC(=C2)C3=CCCCC3)O[C@@H]1CN(C)C(=O)C4=CC(=CC=C4)F)[C@H](C)CO</smiles> <smiles>C[C@@H]1CN(C(=O)C2=C(N=CC(=C2)C3=CCCCC3)O[C@@H]1CN(C)C(=O)C4=CC(=CC=C4)F)[C@H](C)CO</smiles> is N-[[(2S,3R)-8-(1-cyclohexenyl)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-3-fluoro-N-methylbenzamide. It is also related to or classified as organohalogen compound  . It is also related to or classified as carbonyl compound .


The molecule <smiles>C[C@@H]1[C@H](CN(C(=O)C2=C(C=CC(=C2)C#N)OCC[C@H]3CC[C@H]([C@H](O3)CN(C1=O)C)OC)C)OC</smiles> <smiles>C[C@@H]1[C@H](CN(C(=O)C2=C(C=CC(=C2)C#N)OCC[C@H]3CC[C@H]([C@H](O3)CN(C1=O)C)OC)C)OC</smiles> is LSM-41987. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .


The molecule <smiles>C(CC(C(=O)O)N)CC(C(=O)O)N</smiles> is the amino dicarboxylic acid that is heptanedioic acid with amino substituents at C-2 and C-6. It has a role as an Escherichia coli metabolite. It derives from a pimelic acid. It is a conjugate acid of a 2,6-diaminopimelate(2-).


The molecule <smiles>COc1cc(ccc1O)C(O)C(O)CO</smiles> <smiles>COc1cc(ccc1O)C(O)C(O)CO</smiles> is A compound made up of a guaiacyl core with an alpha-glyceryl substituent para to the aromatic hydroxy group. Its functional parent is glycerol . It is also related to or classified as guaiacols  .  It is also related to or classified as aromatic alcohol  . It is also related to or classified as tetrol .


The molecule <smiles>O=C(N[C@H]([C@H](O)[C@H](O)CCCCCCCCCCCCCC)CO)[C@H](O)CCCCCCCCCCCCCCCCCCCC</smiles> <smiles>O=C(N[C@H]([C@H](O)[C@H](O)CCCCCCCCCCCCCC)CO)[C@H](O)CCCCCCCCCCCCCCCCCCCC</smiles> is (2S, 3S, 4R)-2-[(2'R)-2'-hydroxydocosanoylamino]-1, 3, 4-octadecanetriol. It is also related to or classified as N-acylphytosphingosine  .


The molecule <smiles>C1CC=C(C1)C2=CC=C(C=C2)[C@@H]3[C@@H]4CNCC(=O)N4[C@H]3CO</smiles> <smiles>C1CC=C(C1)C2=CC=C(C=C2)[C@@H]3[C@@H]4CNCC(=O)N4[C@H]3CO</smiles> is (6R,7R,8R)-7-[4-(1-cyclopentenyl)phenyl]-8-(hydroxymethyl)-1,4-diazabicyclo[4.2.0]octan-2-one. It is also related to or classified as benzenes , ring assembly , azetidines .


The molecule <smiles>CCCCCCCCCCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F</smiles> is a fluoroalkane that is hexadecane in which all of the hydrogen atoms at positions 1, 2, 3, 4, 5, and 6 have been replaced by fluorine atoms. It has a role as a nonionic surfactant. It is a fluorohydrocarbon and a fluoroalkane. It derives from a hydride of a hexadecane.