anonymous041/ChEBI-Augmented huggingface dataset:
The molecule FC(F)(F)OC1=CC=CC(CC(=O)NC2=NN=C(CCCCC3=NN=C(NC(=O)CC4=CC=CC=N4)S3)C=C2)=C1 FC(F)(F)OC1=CC=CC(CC(=O)NC2=NN=C(CCCCC3=NN=C(NC(=O)CC4=CC=CC=N4)S3)C=C2)=C1 is telaglenastat is an orally bioavailable inhibitor of glutaminase, with potential antineoplastic activity. Upon oral administration, CB-839 selectively and irreversibly inhibits glutaminase, a mitochondrial enzyme that is essential for the conversion of the amino acid glutamine into glutamate. By blocking glutamine utilization, proliferation in rapidly growing cells is impaired. Glutamine-dependent tumors rely on the conversion of exogenous glutamine into glutamate and glutamate metabolites to both provide energy and generate building blocks for the production of macromolecules, which are needed for cellular growth and survival. It has the role of EC 3.5.1.2 (glutaminase) inhibitor . It is also related to or classified as pyridines .
The molecule C1=CC(=C(C=C1CC(C(=O)O)NC=O)C2=C(C=CC(=C2)CC(C(=O)O)NC=O)O)O is a member of biphenyls and a N-formyl amino acid. It has a role as a Saccharomyces cerevisiae metabolite. It derives from a dityrosine.
The molecule C(=N)(NC=1C=CC=CC1)NC2=CC=CC=C2 C(=N)(NC=1C=CC=CC1)NC2=CC=CC=C2 is guanidine carrying a phenyl substituent on each of the two amino groups. It is used as an accelerator in the rubber industry. It has the role of allergen . It is also related to or classified as guanidines .
The molecule CC1=CC(=NC=C1)NC2=NC(=CS2)C3=CC=C(C=C3)NC(=O)C CC1=CC(=NC=C1)NC2=NC(=CS2)C3=CC=C(C=C3)NC(=O)C is N-[4-[2-[(4-methyl-2-pyridinyl)amino]-4-thiazolyl]phenyl]acetamide. It is also related to or classified as anilide  . It is also related to or classified as acetamides .
The molecule C1CCCC2C1(C3C(CC2)C4C(CC3)(C(CC4)CCO)C)C C1CCCC2C1(C3C(CC2)C4C(CC3)(C(CC4)CCO)C)C is any C21-steroid carrying a hydroxy substituent at position 21.  It is also related to or classified as C21-steroid  . It is also related to or classified as 21-hydroxy steroid .
The molecule CC1=CC(=C(C=C1)O)[C@H](CCN(C(C)C)C(C)C)C2=CC=CC=C2 is a tertiary amine. It has a role as a muscarinic antagonist, a muscle relaxant and an antispasmodic drug. It derives from a p-cresol.
The molecule OC1=CC=C(/C=C\C(=O)NC=2C(=CC=CC2)C(O)=O)C=C1 OC1=CC=C(/C=C\C(=O)NC=2C(=CC=CC2)C(O)=O)C=C1 is (E)-Avenanthramide D. It is also related to or classified as alkaloid  . It is also related to or classified as benzamides .
The molecule CCCN(C)C[C@@H]1[C@H](CN(C(=O)C2=C(C=CC(=C2)NC(=O)C3=CC=NC=C3)O[C@@H](CCCCO1)C)[C@H](C)CO)C CCCN(C)C[C@@H]1[C@H](CN(C(=O)C2=C(C=CC(=C2)NC(=O)C3=CC=NC=C3)O[C@@H](CCCCO1)C)[C@H](C)CO)C is N-[(3R,9S,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(propyl)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 CC/C(/C1=CC=C(C=C1)O)=C(\C2=CC=CC=C2)/C3=CC=C(C=C3)OCCN(C)C CC/C(/C1=CC=C(C=C1)O)=C(\C2=CC=CC=C2)/C3=CC=C(C=C3)OCCN(C)C is 4-hydroxytamoxifen is a selective estrogen receptor modulator. It is currently in the development process to work as a potential breast hyperplasia treatment. It is also related to or classified as organic molecular entity .
The molecule C\C=C\C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12 C\C=C\C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12 is the (E)-isomer of but-2-enoyl-CoA. Its functional parent is crotonic acid . It is a conjugate acid of crotonoyl-CoA(4-) . It is also related to or classified as but-2-enoyl-CoA  .
The molecule C/C(=C/[O-])/C=C/C(=O)C(=O)O is a 6-oxo monocarboxylic acid anion resulting from the deprotonation of the carboxy group of (2Z,4E)-2-hydroxy-5-methyl-6-oxohexa-2,4-dienoic acid. The major species at pH 7.3. It is a conjugate base of a (2Z,4E)-2-hydroxy-5-methyl-6-oxohexa-2,4-dienoic acid.
The molecule O(CC1=CC(OC)=C(O)C=C1)CC O(CC1=CC(OC)=C(O)C=C1)CC is 4-(Ethoxymethyl)-2-methoxyphenol. It is also related to or classified as phenols  . It is also related to or classified as methoxybenzenes .
The molecule C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O[C@@H]2[C@H]([C@H]([C@H](O[C@H]2O[C@@H]3[C@H](OC([C@@H]([C@H]3O)O)O)CO)CO)O)O[C@@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)O[C@H]5[C@@H]([C@H]([C@H]([C@H](O5)CO)O)O)O)NC(=O)C)O)O)O is an amino pentasaccharide comprised of a tetrasaccharide chain of beta-D-galactosyl, N-acetyl-alpha-D-galactosaminyl, beta-D-galactosyl and D-glucosyl residues linked sequentially (1->3), (1->3) and (1->4), with an alpha-L-fucosyl residue linked (1->2) to the galactosyl residue proximal to the reducing-end glucosyl residue. It has a role as an epitope. It is an amino pentasaccharide and a galactosamine oligosaccharide.
The molecule [H][C@@]12CCN3c4ccccc4[C@]45CCN6CC(=CCO1)[C@]([H])(C[C@@]46[H])[C@]2([H])[C@]35[H] [H][C@@]12CCN3c4ccccc4[C@]45CCN6CC(=CCO1)[C@]([H])(C[C@@]46[H])[C@]2([H])[C@]35[H] is strychnidine. It is also related to or classified as quinoline alkaloid , indole alkaloid fundamental parent , quinoline alkaloid fundamental parent , organic heteroheptacyclic compound , monoterpenoid indole alkaloid .
The molecule OCCOc1ccccc1 OCCOc1ccccc1 is an aromatic ether that is phenol substituted on oxygen by a 2-hydroxyethyl group. It has the role of antiinfective agent . It has the role of central nervous system depressant . Its functional parent is phenol . It is also related to or classified as primary alcohol  . It is also related to or classified as glycol ether , aromatic ether .
The molecule P(OC[C@@H](CO)OC(CCCCCCCCCCCCCCC)=O)(=O)(OCCN)O P(OC[C@@H](CO)OC(CCCCCCCCCCCCCCC)=O)(=O)(OCCN)O is A 2-acyl-sn-glycero-3-phosphoethanolamine in which the acyl group is specified as hexadecanoyl (palmitoyl). It has the role of plant metabolite . Its functional parent is hexadecanoic acid . It is also related to or classified as 2-acyl-sn-glycero-3-phosphoethanolamine  . It is also related to or classified as lysophosphatidylethanolamine 16:0  .
The molecule O=C1NC=2C(N(C3CC3)C=4N=CC=CC41)=NC=C(O)C2C O=C1NC=2C(N(C3CC3)C=4N=CC=CC41)=NC=C(O)C2C is 3-Hydroxynevirapine. It is also related to or classified as aromatic amine , tertiary amino compound .
The molecule C1CCCC2C1(C3C(CC2)C4C(CC3)([C@](CC4)(CC)O)C)C C1CCCC2C1(C3C(CC2)C4C(CC3)([C@](CC4)(CC)O)C)C is any C21-steroid carrying a hydroxy substituent at the 17alpha-position. Note that individual examples may have ring substituents at other positions and/or contain double bonds, aromatic A-rings, expanded/contracted rings etc., so the formula and mass may vary from that given for the generic structure.  It is also related to or classified as C21-steroid  . It is also related to or classified as 17alpha-hydroxy steroid .
The molecule O=C/1N[C@H](C(=O)NCC(=O)N(C(C(=O)N[C@@H](C(=O)OC(C(C(NC(C(NC(C(N\C1=C/C)=O)C(O)C2=CC=C(O)C=C2)=O)C(O)C)=O)NC(=O)C(NC(=O)C(O)C(O[C@@H]3OC[C@@H](O)[C@H]([C@@H]3O)O[C@H]4O[C@@H](C(=O)O)[C@@H](O)[C@H]([C@@H]4O)O)CCCCCCCCCCCCC)C(O)C)C)CCC(=O)N)C(O[C@H]5O[C@H]([C@H](O)[C@H]([C@H]5O)O)CO)C)C)CCC(=O)N O=C/1N[C@H](C(=O)NCC(=O)N(C(C(=O)N[C@@H](C(=O)OC(C(C(NC(C(NC(C(N\C1=C/C)=O)C(O)C2=CC=C(O)C=C2)=O)C(O)C)=O)NC(=O)C(NC(=O)C(O)C(O[C@@H]3OC[C@@H](O)[C@H]([C@@H]3O)O[C@H]4O[C@@H](C(=O)O)[C@@H](O)[C@H]([C@@H]4O)O)CCCCCCCCCCCCC)C(O)C)C)CCC(=O)N)C(O[C@H]5O[C@H]([C@H](O)[C@H]([C@H]5O)O)CO)C)C)CCC(=O)N is Balticidin D. It is also related to or classified as glycoside  . It is also related to or classified as cyclodepsipeptide  .
The molecule Oc1ccc(c(O)c1)-c1coc2cc(O)cc(O)c2c1=O Oc1ccc(c(O)c1)-c1coc2cc(O)cc(O)c2c1=O is A hydroxyisoflavone that is genistein substituted by an additional hydroxy group at position 2'. It has been isolated from Crotalaria lachnophora. It has the role of plant metabolite . Its functional parent is genistein . It is a conjugate acid of 2'-hydroxygenistein(1-) . It is also related to or classified as hydroxyisoflavone .
The molecule COC1=CC(=C2C(=C1)OC3=C(C=CC(=C3C2=O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O is a xanthone that is bellidifolin in which a beta-Dglucopyranosyl residue is attached at position O-8 via a glycosidic linkage. It is isolated particularly from Gentiana campestris and Gentiana germanica. It has a role as an EC 3.1.1.7 (acetylcholinesterase) inhibitor, an antioxidant and a plant metabolite. It is a beta-D-glucoside, a monosaccharide derivative, an aromatic ether and a xanthone glycoside. It derives from a bellidifolin.
The molecule CNCCNS(=O)(=O)c1cccc2cnccc12 CNCCNS(=O)(=O)c1cccc2cnccc12 is N-[2-(methylamino)ethyl]isoquinoline-5-sulfonamide.  It is also related to or classified as sulfonamide  . It is also related to or classified as isoquinolines .
The molecule O1C(C(O)C(O)C(O)C1OC2=C3OC(=CC(=O)C3=C(O)C(O)=C2O)C4=CC(OC)=C(O)C=C4)C O1C(C(O)C(O)C(O)C1OC2=C3OC(=CC(=O)C3=C(O)C(O)=C2O)C4=CC(OC)=C(O)C=C4)C is Estragonoside. It is also related to or classified as glycoside  . It is also related to or classified as flavonoids .
The molecule CCCCCCCCCCCCCCCCCC1=CC(=CC(=C1)O)O is a 5-alkylresorcinol that is resorcinol which is substituted by a heptadecyl group at position 5. It is found in wheat bran. It has a role as an antineoplastic agent and a plant metabolite.
The molecule [NH3+]CCC[C@H]([NH3+])C([O-])=O [NH3+]CCC[C@H]([NH3+])C([O-])=O is A polar amino acid zwitterion of L-ornithine. It is a conjugate acid of L-ornithine . It is also related to or classified as ornithinium(1+)  . It is also related to or classified as polar amino acid zwitterion  .
The molecule BrCC(Br)(CCC#N)C#N BrCC(Br)(CCC#N)C#N is an organobromine compound that consists of pentanedinitrile bearing bromo and bromomethyl substituents at position 2. It has the role of sensitiser . It has the role of allergen . It is also related to or classified as organobromine compound  . It is also related to or classified as aliphatic nitrile  .
The molecule OC(=O)c1cc(cc(c1)C([O-])=O)C([O-])=O OC(=O)c1cc(cc(c1)C([O-])=O)C([O-])=O is benzene-1,3,5-tricarboxylate(2-). It is a conjugate acid of benzene-1,3,5-tricarboxylate(3-) . It is also related to or classified as tricarboxylic acid dianion .
The molecule CP(O)(=O)CCC(=O)C(O)=O CP(O)(=O)CCC(=O)C(O)=O is A butyric acid derivative having an oxo group at the 2-position and a hydroxymethylphosphinyl moiety at the 4-position. Its functional parent is butyric acid . It is a conjugate acid of 4-(hydroxymethylphosphinyl)-2-oxobutyrate . It is also related to or classified as 2-oxo monocarboxylic acid  .
The molecule OC[C@H]1O[C@@H](Oc2cc(O)c3c(c2)occ(-c2ccc(O)cc2)c3=O)[C@H](O)[C@@H](O)[C@@H]1O OC[C@H]1O[C@@H](Oc2cc(O)c3c(c2)occ(-c2ccc(O)cc2)c3=O)[C@H](O)[C@@H](O)[C@@H]1O is genistein 7-O-beta-D-glucoside. Its functional parent is genistein . It is a conjugate acid of genistein 7-O-beta-D-glucoside(1-) . It is also related to or classified as 7-hydroxyisoflavones 7-O-beta-D-glucoside  .
The molecule C[C@H]1C[C@]2([C@H]([C@H]1OC(=C)C)[C@H](/C(=C\\C[C@H]3[C@H](C3(C)C)/C=C(/C2=O)\\C)/C)OC(=C)C)OC(=O)/C=C/C4=CC=CC=C4 is a lathyrane diterpenoid isolated from the roots of Euphorbia micractina. It is a cinnamate ester and a lathyrane diterpenoid.
The molecule CC1=C(SC=[N+]1CC2=CN=C(NC2=O)C)CCO.[Cl-] is a organic chloride salt having oxythiamine as the counterion. It has a role as an antimetabolite and a vitamin B1 antagonist. It contains an oxythiamine(1+).
The molecule O=C1C(C(=O)N)=CNC(=C1)[C@@H](O)C2=CC=CC=C2 O=C1C(C(=O)N)=CNC(=C1)[C@@H](O)C2=CC=CC=C2 is Penipyridone A. Its functional parent is nicotinamide . It is also related to or classified as pyridinecarboxamide .
The molecule C(C(CCC#N)(Br)C#N)Br.C(C)(O)OC1=CC=CC=C1.C(C)(O)OC1=CC=CC=C1.C(C)(O)OC1=CC=CC=C1.C(C)(O)OC1=CC=CC=C1 C(C(CCC#N)(Br)C#N)Br.C(C)(O)OC1=CC=CC=C1.C(C)(O)OC1=CC=CC=C1.C(C)(O)OC1=CC=CC=C1.C(C)(O)OC1=CC=CC=C1 is A preservative for cosmetics and toiletries containing two active ingredients, 1,2-dibromo-2,4-dicyanobutane and 2-phenoxyethanol in the ratio 1:4. It is also related to or classified as mixture .
The molecule O(C1=C(OC)C=C(C=C1)/C=C\C)C(=O)CC2=CC=CC=C2 O(C1=C(OC)C=C(C=C1)/C=C\C)C(=O)CC2=CC=CC=C2 is Isoeugenol phenylacetate. It is also related to or classified as phenols  . It is also related to or classified as benzoate ester .
The molecule O=C(CCCCCCCCC(O)=O)CCCCCCCC O=C(CCCCCCCCC(O)=O)CCCCCCCC is 10-Oxooctadecanoic acid. It is a conjugate acid of 10-KOMA(1-) . It is also related to or classified as long-chain fatty acid  .
The molecule OC[C@H]1O[C@@H](O[C@H]2[C@H](O[C@H]3[C@H](Oc4c(oc5cc(O)cc(O)c5c4=O)-c4ccc(O)c(O)c4)O[C@H](CO)[C@@H](O)[C@@H]3O)O[C@H](CO)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O OC[C@H]1O[C@@H](O[C@H]2[C@H](O[C@H]3[C@H](Oc4c(oc5cc(O)cc(O)c5c4=O)-c4ccc(O)c(O)c4)O[C@H](CO)[C@@H](O)[C@@H]3O)O[C@H](CO)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O is A quercetin O-glucoside that is quercetin attached to a beta-D-sophorotriosyl residue at position 3 via a glycosidic linkage. It has the role of hepatoprotective agent . It has the role of plant metabolite . It is also related to or classified as tetrahydroxyflavone  . It is also related to or classified as trisaccharide derivative , quercetin O-glucoside .
The molecule C[C@@H]1O[C@@H](O[C@@H]2[C@@H](CO)O[C@@H](O)[C@H](NC(C)=O)[C@H]2O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@@H]1O C[C@@H]1O[C@@H](O[C@@H]2[C@@H](CO)O[C@@H](O)[C@H](NC(C)=O)[C@H]2O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@@H]1O is A beta-D-Galp-(1->3)-[alpha-L-Fucp-(1->4)]-D-GlcpNAc where the N-acetyl-D-glucosamine at the reducing end has beta-configuration at its anomeric centre. It is also related to or classified as beta-D-Galp-(1->3)-[alpha-L-Fucp-(1->4)]-D-GlcpNAc  .
The molecule C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)OS(=O)(=O)O)C)C is a steroid sulfate that is lithocholic acid in which the hydroxy hydrogen at position 3 has been replaced by a sulfo group. It derives from a lithocholic acid. It is a conjugate acid of a lithocholate sulfate(2-).
The molecule S(OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](O)[C@H](NC(=O)C)[C@@H](O[C@@H]3O[C@@H]([C@H](O)[C@H](O)[C@H]3O[C@@H]4O[C@H]([C@@H](O)[C@@H](O)[C@@H]4O)C)CO)[C@H]2O)[C@H](NC(=O)C)[C@@H](O)[C@@H]1O[C@@H]5O[C@@H]([C@H](O)[C@H](O)[C@H]5O)CO)(O)(=O)=O S(OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](O)[C@H](NC(=O)C)[C@@H](O[C@@H]3O[C@@H]([C@H](O)[C@H](O)[C@H]3O[C@@H]4O[C@H]([C@@H](O)[C@@H](O)[C@@H]4O)C)CO)[C@H]2O)[C@H](NC(=O)C)[C@@H](O)[C@@H]1O[C@@H]5O[C@@H]([C@H](O)[C@H](O)[C@H]5O)CO)(O)(=O)=O is [(2R,3S,4R,5R,6R)-5-Acetamido-6-[[(2R,3R,4R,5R,6R)-5-acetamido-4-[(2R,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-3,6-dihydroxyoxan-2-yl]methoxy]-4-hydroxy-3-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl hydrogen sulfate. It is also related to or classified as carbohydrates and carbohydrate derivatives .
The molecule C[C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)OCCCCCC(=O)OC)O)O[C@@H]2[C@H]([C@H]([C@@H]([C@H](O2)C)NC=O)OC)OC)NC=O is a glycoside that consists of an N-formyl-2,3-di-O-methyl-alpha-D-perosamine residue linked (1->3) to an N-formyl-alpha-D-perosamine residue which is linked glycosidically to a 5-(methoxycarbonyl)pentyl group. It is a disaccharide derivative, a glycoside and a methyl ester.
The molecule O=C(CCCCCCCCCCC)CC(=O)CCC1=CC(OC)=C(O)C=C1 O=C(CCCCCCCCCCC)CC(=O)CCC1=CC(OC)=C(O)C=C1 is [12]-Gingerdione.  It is also related to or classified as phenols  . It is also related to or classified as monomethoxybenzene , beta-diketone .
The molecule C1=2C=C(C=C(C2C(O[C@@]3(C[C@H]([C@@H](C=C13)O)O)C)=O)O)OC C1=2C=C(C=C(C2C(O[C@@]3(C[C@H]([C@@H](C=C13)O)O)C)=O)O)OC is A benzochromenone mycotoxin isolated from the fungus Allernaria tenuis. It has the role of mycotoxin . It is also related to or classified as benzochromenone .
The molecule CC1CCC2=C(C1)SC3=C2C(=O)N(C(=N3)SC)C CC1CCC2=C(C1)SC3=C2C(=O)N(C(=N3)SC)C is 3,7-dimethyl-2-(methylthio)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one. It is also related to or classified as organic heterobicyclic compound , organonitrogen heterocyclic compound , organosulfur heterocyclic compound .
The molecule CO[C@@H]1[C@H](O)[C@@H](COP(O)(O)=O)O[C@H]1n1cnc2c(N)ncnc12 CO[C@@H]1[C@H](O)[C@@H](COP(O)(O)=O)O[C@H]1n1cnc2c(N)ncnc12 is A adenosine 5'-phosphate that is the 2'-O-methyl derivative of adenosine 5'-monophosphate. Its functional parent is adenosine 5'-monophosphate . It is also related to or classified as purine ribonucleoside 5'-monophosphate , adenosine 5'-phosphate .
The molecule O=C(CCC/C=C\C/C=C\C/C=C\C(C(C(CCCCC)O)O)O)O O=C(CCC/C=C\C/C=C\C/C=C\C(C(C(CCCCC)O)O)O)O is A trihydroxyicosatrienoic acid that is (5Z,8Z,11Z)-icosatrienoic acid in which the three hydroxy groups are located at positions 13, 14 and 15. It is a conjugate acid of 13,14,15-trihydroxy-(5Z,8Z,11Z)-icosatrienoate . It is also related to or classified as secondary allylic alcohol  . It is also related to or classified as trihydroxyicosatrienoic acid .
The molecule c1ccc2sccc2c1 c1ccc2sccc2c1 is 1-benzothiophene. It is also related to or classified as benzothiophene  . It is also related to or classified as 1-benzothiophenes .
The molecule OC(=O)c1ccc(cc1)\N=N\c1ccc(cc1)S(O)(=O)=O OC(=O)c1ccc(cc1)\N=N\c1ccc(cc1)S(O)(=O)=O is A member of the class of azobenzenes that is azobenzene in which the para position of one of the phenyl groups is substituted by a carboxy group, whilst that of the other phenyl group is substituted by a sulfo group. It is a conjugate acid of 4-carboxylato-4'-sulfonatoazobenzene . It is also related to or classified as azobenzenes  . It is also related to or classified as monocarboxylic acid , sulfobenzoic acid .
The molecule C[N+](C)(C)CC(CC(=O)[O-])OC(=O)CCCCCCC/C=C\\CCCCCCCC(=O)O is an O-acylcarnitine having (9Z)-17-carboxyheptadec-9-enoyl as the acyl substituent. It has a role as a metabolite. It is an O-acylcarnitine, a carboxylic ester and an ammonium betaine. It derives from a carnitine.
The molecule CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](OC1O)CO[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)O)O)O)O)O is an amino trisaccharide consisting of two beta-D-galactopyranose residues and a 2-acetamido-2-deoxy-D-glucopyranose residue joined in sequence by (1->6) glycosidic bonds. It is an amino trisaccharide and a member of acetamides. It derives from a beta-D-Galp-(1->6)-D-GlcNAcp and a beta-(1->6)-galactobiose.
The molecule Cc1cc(Cl)ccc1OCC(O)=O Cc1cc(Cl)ccc1OCC(O)=O is A chlorophenoxyacetic acid that is (4-chlorophenoxy)acetic acid substituted by a methyl group at position 2. It has the role of synthetic auxin . It has the role of phenoxy herbicide . It has the role of environmental contaminant . It is a conjugate acid of (4-chloro-2-methylphenoxy)acetate . It is also related to or classified as chlorophenoxyacetic acid , monochlorobenzenes .
The molecule N1C(C(=C(C1CC(C)C)O)C(C)=O)=O N1C(C(=C(C1CC(C)C)O)C(C)=O)=O is A pyrroline cyclic ketone that is an isomer of tenuazonic acid, a mycotoxin produced by various plant pathogenic fungi. It is also related to or classified as pyrroline  . It is also related to or classified as cyclic ketone .
The molecule FC1CCC(CC1)C(O)=O FC1CCC(CC1)C(O)=O is 4-Fluorocyclohexane-1-carboxylic acid. It is also related to or classified as organohalogen compound  . It is also related to or classified as alicyclic compound .
The molecule O=C(CCC/C=C\C/C=C\C/C=C\C([C@@H]1[C@H](CCCCC)O1)O)O O=C(CCC/C=C\C/C=C\C/C=C\C([C@@H]1[C@H](CCCCC)O1)O)O is A 13-hydroxy-14,15-epoxy-(5Z,8Z,11Z)-icosatrienoic acid in which the chiral centres at positions 14 and 15 have R- and S-configuration respectively while that at position 13 remains unspecified. It has the role of human metabolite . It is a conjugate acid of 13-hydroxy-(14R,15S)-epoxy-(5Z,8Z,11Z)-icosatrienoate(1-) . It is also related to or classified as 13-hydroxy-14,15-epoxy-(5Z,8Z,11Z)-icosatrienoic acid  .
The molecule O[C@H](Cc1c[nH]c2ccc(OCc3ccccc3)cc12)C([O-])=O O[C@H](Cc1c[nH]c2ccc(OCc3ccccc3)cc12)C([O-])=O is the conjugate base of (R)-3-(5-benzyloxyindol-3-yl)lactic acid. Its functional parent is propionate . It is also related to or classified as hydroxy monocarboxylic acid anion .
The molecule Cc1[nH]c(Cc2[nH]cc(CCC(O)=O)c2CC(O)=O)c(CCC(O)=O)c1CC(O)=O Cc1[nH]c(Cc2[nH]cc(CCC(O)=O)c2CC(O)=O)c(CCC(O)=O)c1CC(O)=O is dipyrromethane cofactor. It has the role of cofactor . It has the role of prosthetic group . It is a conjugate acid of dipyrromethane cofactor(4-) . It is also related to or classified as tetracarboxylic acid .
The molecule F[Ni-3](F)(F)(F)(F)F F[Ni-3](F)(F)(F)(F)F is hexafluoronickelate(3-). It is also related to or classified as nickel coordination entity , perfluorometallate anion .
The molecule CCCCCC#CC\C=C/CCCCCCCC(O)=O CCCCCC#CC\C=C/CCCCCCCC(O)=O is an octadecenynoic acid having a cis-double bond at C-9 and a triple bond at position 12. It is a conjugate acid of crepenynate . It is also related to or classified as octadecenynoic acid .
The molecule CCN[C@H]1CN(S(=O)(=O)C2=C1C=C(S2)S(=O)(=O)N)CCCOC is a sulfonamide and a thienothiazine. It has a role as an antiglaucoma drug and an EC 4.2.1.1 (carbonic anhydrase) inhibitor.
The molecule P(OC[C@@H](CO)OC(CCCCCCCCCCCCCCC)=O)(=O)(OCC[NH3+])[O-] P(OC[C@@H](CO)OC(CCCCCCCCCCCCCCC)=O)(=O)(OCC[NH3+])[O-] is A 2-acyl-sn-glycero-3-phosphoethanolamine zwitterion obtained by transfer of a proton from the phosphate to the amino group of 2-hexadecanoyl-sn-glycero-3-phosphoethanolamine; major species at pH 7.3. It is also related to or classified as 2-acyl-sn-glycero-3-phosphoethanolamine zwitterion  . It is also related to or classified as lysophosphatidylethanolamine zwitterion 16:0  .
The molecule C1=CC=C(C=C1)/C=C\\2/C(=O)C3=CC=CC=C3O2 is a simplest memebr of the class of aurones that is 1-benzofuran-3(2H)-one in which both hydrogens at position 2 are substituted by a benzylidene group (the Z-isomer). It is a cyclic ketone and a member of aurones.
The molecule C1C=Cc2ccccc12 C1C=Cc2ccccc12 is an ortho-fused bicyclic arene comprising of benzene and cyclopentene rings.  It is also related to or classified as indene  . It is also related to or classified as ortho-fused bicyclic arene .
The molecule NC1=NC2=C(N=C(COP(O)(=O)OP(O)(O)=O)CN2)C(O)=N1 NC1=NC2=C(N=C(COP(O)(=O)OP(O)(O)=O)CN2)C(O)=N1 is A 7,8-dihydropterin having a diphosphomethyl substituent at the 6-position. It is a conjugate acid of (2-amino-4-hydroxy-7,8-dihydropteridin-6-yl)methyl diphosphate(3-) . It is also related to or classified as pterin phosphate , dihydropterin .
The molecule O1C(CC(=O)C2=C1C(OC)=C(O)C=C2)C3=CC=C(O)C=C3 O1C(CC(=O)C2=C1C(OC)=C(O)C=C2)C3=CC=C(O)C=C3 is Heliannone C. It is also related to or classified as ether  . It is also related to or classified as flavonoids .
The molecule O=C(CCC/C=C\C/C=C\C/C=C\[C@@H]([C@H]1[C@H](CCCCC)O1)O)O O=C(CCC/C=C\C/C=C\C/C=C\[C@@H]([C@H]1[C@H](CCCCC)O1)O)O is A 13-hydroxy-14,15-epoxy-(5Z,8Z,11Z)-icosatrienoic acid in which the three chiral centres at positions 13, 14 and 15 all have S-configuration. It has the role of human metabolite . It is a conjugate acid of (13S)-hydroxy-(14S,15S)-epoxy-(5Z,8Z,11Z)-icosatrienoate . It is also related to or classified as 13-hydroxy-14,15-epoxy-(5Z,8Z,11Z)-icosatrienoic acid  .
The molecule CC(C)CCCCCCCCCCCCCO is a long-chain primary fatty alcohol that is pentadecan-1-ol substituted by a methyl group at position 14. It derives from a hydride of a pentadecane.
The molecule O([C@H]1C[C@@H](CC2=C(N)C(=O)C=C(NC(=O)C(=CC=C[C@H](OC)[C@@H](OC(=O)N)C(=C[C@@H]([C@H]1O)C)C)C)C2=O)C)C O([C@H]1C[C@@H](CC2=C(N)C(=O)C=C(NC(=O)C(=CC=C[C@H](OC)[C@@H](OC(=O)N)C(=C[C@@H]([C@H]1O)C)C)C)C2=O)C)C is 17-Aminogeldanamycin. It is also related to or classified as enamine  . It is also related to or classified as enone  .
The molecule O[C@H](CCCC([O-])=O)C([O-])=O O[C@H](CCCC([O-])=O)C([O-])=O is the conjugate base of (R)-2-hydroxyadipic acid. It is also related to or classified as dicarboxylic acid dianion  .
The molecule ClC1=CC=C(N2N=C(C=C2N)C)C=C1 ClC1=CC=C(N2N=C(C=C2N)C)C=C1 is chondroitin sulfate E (GalNAc4,6diS-GlcA), precursor 3. It is also related to or classified as pyrazoles , ring assembly .