anonymous041/ChEBI-Augmented huggingface dataset:
The molecule OC(=O)\C=C/C=C\C(O)=O OC(=O)\C=C/C=C\C(O)=O is the cis,cis-isomer of  muconic acid. It is produced during the degradation of chlorobenzene by bacteria like Bacillus. It has the role of bacterial xenobiotic metabolite . It is a conjugate acid of (2Z,4Z)-5-carboxypenta-2,4-dienoate . It is also related to or classified as muconic acid  .
The molecule CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)OC[C@@H]2[C@@H]([C@@H]([C@H](C(O2)O)NC(=O)C)O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O[C@@]4(C[C@@H]([C@H]([C@@H](O4)[C@@H]([C@@H](CO)O)O)NC(=O)C)O)C(=O)O)O)O)O is a branched amino tetrasaccharide consisting of a linear sequence of alpha-neuraminyl, beta-D-galactosyl and N-acetyl-D-galactosamine residues linked (2->3) and (1->6), to the N-acetyl-D-galactosamine residue of which is also linked (2->6) another alpha-neuraminyl residue. It has a role as an epitope. It is an amino tetrasaccharide and a galactosamine oligosaccharide.
The molecule OC[C@@H](O)[C@@H](O)[C@](O)(COP([O-])([O-])=O)C([O-])=O OC[C@@H](O)[C@@H](O)[C@](O)(COP([O-])([O-])=O)C([O-])=O is an organophosphate oxoanion that is a trianion resulting from the deprotonation of the carboxy and phosphate OH groups of 2-carboxy-D-arabinitol 1-phosphate; major species at pH 7.3. It is also related to or classified as monocarboxylic acid anion  . It is also related to or classified as organophosphate oxoanion , carbohydrate acid derivative anion .
The molecule O=C1O[C@H](CC[C@@H](O)C(=O)CCCC=CC=2C1=C(O)C=C(O)C2)C O=C1O[C@H](CC[C@@H](O)C(=O)CCCC=CC=2C1=C(O)C=C(O)C2)C is 7'beta-hydroxyzearalenone. It is also related to or classified as macrolide  . It is also related to or classified as resorcinols .
The molecule C1(N[C@]2(COC([C@@]3(COC([C@]([H])(COC2=O)NC(C4=C5C(O[Fe-3]67(OC8=C(C(N3)=O)C=C(C=C8O6)[C@H]9[C@@H]([C@H]([C@@H]([C@H](O9)CO)O)O)O)(O5)OC%10=C1C=CC=C%10O7)=CC(=C4)[C@H]%11[C@@H]([C@H]([C@@H]([C@H](O%11)CO)O)O)O)=O)=O)[H])=O)[H])=O C1(N[C@]2(COC([C@@]3(COC([C@]([H])(COC2=O)NC(C4=C5C(O[Fe-3]67(OC8=C(C(N3)=O)C=C(C=C8O6)[C@H]9[C@@H]([C@H]([C@@H]([C@H](O9)CO)O)O)O)(O5)OC%10=C1C=CC=C%10O7)=CC(=C4)[C@H]%11[C@@H]([C@H]([C@@H]([C@H](O%11)CO)O)O)O)=O)=O)[H])=O)[H])=O is Fe(III)-di(C-5-deoxy-beta-D-glucosyl)-enterobactin(3-). Its functional parent is enterobactin(6-) . It is also related to or classified as organic anion , iron coordination entity .
The molecule O1C23C4C5(C(C2C(C(O)CC3O)(C1=O)C)C(O)=O)CC(CC4)C(C5)=C O1C23C4C5(C(C2C(C(O)CC3O)(C1=O)C)C(O)=O)CC(CC4)C(C5)=C is Gibberellin A54. It is also related to or classified as C19-gibberellin , gibberellin monocarboxylic acid .
The molecule CC1=CC2=C(C=C1)C(=C(N2)C(=O)OC)NC(=O)CN3CCN(CC3)C(=O)C4=CC=CO4 CC1=CC2=C(C=C1)C(=C(N2)C(=O)OC)NC(=O)CN3CCN(CC3)C(=O)C4=CC=CO4 is 3-[[2-[4-[2-furanyl(oxo)methyl]-1-piperazinyl]-1-oxoethyl]amino]-6-methyl-1H-indole-2-carboxylic acid methyl ester. It is also related to or classified as indolyl carboxylic acid .
The molecule CC(=O)[C@@H]1CN2CC[C@@]34[C@@H]2C[C@@H]1C(=C3NC5=C4C=CC=C5O)C(=O)OC is an alkaloid, a methyl ester and an organic heteropentacyclic compound. It has a role as a metabolite.
The molecule O=C1OC(=O)C(=C1CCCCCCCCCCCCCCCCCCC(C(=O)O)C(C(=O)O)CC(=O)O)C O=C1OC(=O)C(=C1CCCCCCCCCCCCCCCCCCC(C(=O)O)C(C(=O)O)CC(=O)O)C is Skeletocutin Q. Its functional parent is hexacarboxylic acid . It is also related to or classified as organooxygen compound .
The molecule O(C(C[C@H](O)C)=O)[C@@H](CC(O[C@@H](CC([O-])=O)C)=O)C O(C(C[C@H](O)C)=O)[C@@H](CC(O[C@@H](CC([O-])=O)C)=O)C is A hydroxy monocarboxylic acid anion resulting from the deprotonation of the carboxy group of (3R)-3-{[(3R)-3-{[(3R)-3-hydroxybutanoyl]oxy}butanoyl]oxy}butanoic acid. It is a trimer of (3R)-hydroxybutanoate; major microspecies at pH 7.3. Its functional parent is (R)-3-hydroxybutyrate . It is also related to or classified as hydroxy monocarboxylic acid anion .
The molecule C1=CC(=C(C=C1CC(=O)O)O)O is a dihydroxyphenylacetic acid having the two hydroxy substituents located at the 3- and 4-positions. It is a metabolite of dopamine. It has a role as a human metabolite. It is a dihydroxyphenylacetic acid and a member of catechols. It derives from a phenylacetic acid. It is a conjugate acid of a (3,4-dihydroxyphenyl)acetate.
The molecule CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCO CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCO is A diterpenoid that is hexadeca-2,6,10,14-tetraene substituted by methyl groups at positions 3, 7, 11 and 15 and a hydroxy group at position 1. It has the role of volatile oil component . It has the role of antileishmanial agent . It has the role of plant metabolite . It is also related to or classified as diterpenoid  . It is also related to or classified as polyprenol .
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]([C@@H]([C@H](O[C@@H]3OC[C@@H]4[C@H]([C@@H]([C@@H](O4)O[C@H]5[C@@H]([C@H](O[C@@H]5OC[C@@H]6[C@H]([C@@H]([C@H](O6)OC[C@@H]7[C@H]([C@@H]([C@H](O7)O)O)O)O)O[C@@H]8[C@H]([C@@H]([C@H](O8)CO)O)O[C@H]9[C@H]([C@@H]([C@H](O9)CO[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O)O)CO)O)O)O)CO)O)O)CO)O)O)O)O)O)O is an oligosaccharide that is a branched dodecasaccharide comprising six D-arabinofuranose and six mannopyranose units, in an assembly consisting of two arabinose residues linked alpha(1->5), with alpha-mannosyl-(1->2)-alpha-mannosyl-(1->2)-alpha-mannosyl-(1->5)-alpha-arabinosyl-(1->2)-alpha-arabinosyl pentasaccharide units linked to the 3- and 5-positions of the residue distal from the reducing-end residue.
The molecule [C@@H]1(N2C(NC(=O)C(=C2)C)=O)O[C@H](COP(OP(OP([O-])(=O)[O-])(=O)[O-])(=O)[O-])CC1 [C@@H]1(N2C(NC(=O)C(=C2)C)=O)O[C@H](COP(OP(OP([O-])(=O)[O-])(=O)[O-])(=O)[O-])CC1 is A 2',3'-dideoxyribonucleoside triphosphate oxoanion obtained from 2',3'-dideoxythymidine triphosphate by deprotonation of three of the four free triphosphate OH groups; major species at pH 7.3. It is also related to or classified as organophosphate oxoanion .
The molecule C[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)OP(=O)([O-])OP(=O)([O-])OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=NC4=C3N=C(NC4=O)N)O)O)O)O)O is a nucleotide-sugar oxoanion obtained by deprotonation of the diphosphate OH groups of GDP-6-deoxy-alpha-D-altrose; major species at pH 7.3. It is a conjugate base of a GDP-6-deoxy-alpha-D-altrose.
The molecule O=C1O[C@H](CCCC(=O)[C@@H](O)CCC=CC=2C1=C(O)C=C(O)C2)C O=C1O[C@H](CCCC(=O)[C@@H](O)CCC=CC=2C1=C(O)C=C(O)C2)C is 5′beta-hydroxyzearalenone. It is also related to or classified as macrolide  . It is also related to or classified as resorcinols .
The molecule CCCC/C=C/CCCCCCCCCCCC(=O)O CCCC/C=C/CCCCCCCCCCCC(=O)O is an octadecenoic acid with a trans-double bond at position C-13. It has the role of human metabolite .  It is also related to or classified as fatty acid 18:1  . It is also related to or classified as octadecenoic acid .
The molecule O(C(C[C@H](OC(C[C@H](O)C)=O)C)=O)[C@@H](CC(O[C@@H](CC([O-])=O)C)=O)C O(C(C[C@H](OC(C[C@H](O)C)=O)C)=O)[C@@H](CC(O[C@@H](CC([O-])=O)C)=O)C is A hydroxy monocarboxylic acid anion resulting from the deprotonation of the carboxy group of (3R)-3-{[(3R)-3-{[(3R)-3-{[(3R)-3-hydroxybutanoyl]oxy}butanoyl]oxy}butanoyl]oxy}butanoic acid. A tetramer of (3R)-hydroxybutanoate; the major microspecies at pH 7.3. Its functional parent is (R)-3-hydroxybutyrate . It is also related to or classified as hydroxy monocarboxylic acid anion .
The molecule CC[C@H](C)C(=O)[C@@H]1[C@H]2[C@@H]3[C@H](OC(=CC3=CC(=O)[C@@]2(OC1=O)C)C)O is an azaphilone that is 9a,9b-dihydro-1H-furo[2,3-h]isochromene-6,8(6aH,9H)-dione substituted by a hydroxy group at position 1, methyl groups at positions 3 and 6a and a 2-methylbutanoyl group at position 9. It has been isolated from the culture of the mangrove endophytic fungus Penicillium chermesinum. It has a role as a Penicillium metabolite. It is a gamma-lactone, an azaphilone, an enone, an organic heterotricyclic compound and a secondary alcohol.
The molecule O=C1C2=C(O)C3=C(C[C@H](CC(=O)O)O[C@H]3C)C=C2C(O)CC1 O=C1C2=C(O)C3=C(C[C@H](CC(=O)O)O[C@H]3C)C=C2C(O)CC1 is Fogacin. It is also related to or classified as organic heterotricyclic compound , organooxygen compound .
The molecule C[C@H]1C[C@]1(C(=O)O)N is a non-proteinogenic alpha-amino acid that is 1-aminocyclopropanecarboxylic acid carrying an additional methyl substituent at position 2 on the cyclopropane ring. It is a member of cyclopropanes and a non-proteinogenic alpha-amino acid.
The molecule CCCN(CCC)C(=O)SCC1=CC=CC=C1 is a monothiocarbamic ester that is carbamothioic S-acid substituted by two propyl groups at the nitrogen atom and a benzyl group at the the sulfur atom. It has a role as an environmental contaminant, a xenobiotic and a herbicide. It is a member of benzenes and a monothiocarbamic ester.
The molecule CN1C=C(C=N1)C2=CC=C(C=C2)C3=CN=CC(=C3N4CCC5(CCNC5=O)CC4)Cl is a chloropyridine that is 3-chloropyridine substituted by a 1-oxo-2,8-diazaspiro[4.5]decan-8-yl group and a 4-(1-methyl-1H-pyrazol-4-yl)phenyl group at positions 4 and 5, respectively. It is an orally bioavailable inhibitor of Wnt signaling (IC50 = 5 nM) and a potent and selective chemical probe for cyclin-dependent kinases CDK8 and CDK19. It has a role as a Wnt signalling inhibitor, an antineoplastic agent and an EC 2.7.11.22 (cyclin-dependent kinase) inhibitor. It is a chloropyridine, a member of pyrazoles and an azaspiro compound.
The molecule C1CN(CCN1)C1=CC=C(C=C1)C1=CN2N=CC(=C2N=C1)C1=C2C=CC=NC2=CC=C1 C1CN(CCN1)C1=CC=C(C=C1)C1=CN2N=CC(=C2N=C1)C1=C2C=CC=NC2=CC=C1 is A member of the class of quinolines that is quinoline substituted by a 6-[4-(piperazin-1-yl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl group at position 5. It is a potent ALK inhibitor (IC50 values of 2.4, 1.3, 85.8, 2,133 and 9,276 nM for ALK1, ALK2, ALK3, ALK4 and ALK5, respectively). It has the role of EC 2.7.11.30 (receptor protein serine/threonine kinase) inhibitor . It has the role of antineoplastic agent . It has the role of angiogenesis inhibitor . It is also related to or classified as quinolines , pyrazolopyrimidine , N-arylpiperazine .
The molecule OCC(CO)(C)C OCC(CO)(C)C is A propane-1,3-diol carrying two methyl groups at position 2. It is also related to or classified as propane-1,3-diols .
The molecule C(CCC([O-])=O)/C=C\C/C=C\C=C\[C@H](C[C@@H]1[C@H](CCCCC)O1)OO C(CCC([O-])=O)/C=C\C/C=C\C=C\[C@H](C[C@@H]1[C@H](CCCCC)O1)OO is A polyunsaturated fatty acid anion that is the conjugate base of (12S)-hydroperoxy-(14R,15S)-EET, obtained by deprotonation of the carboxy group; major species at pH 7.3. It is also related to or classified as hydroperoxy(epoxy)icosatrienoate .
The molecule [H][C@@]12C[C@@]3([H])C(C(=O)c4c(O)cccc4[C@@]3(C)O)=C(O)[C@]1(O)C(=O)C(C(=O)NCNCCCC[C@H](N)C(O)=O)=C(O)[C@H]2N(C)C [H][C@@]12C[C@@]3([H])C(C(=O)c4c(O)cccc4[C@@]3(C)O)=C(O)[C@]1(O)C(=O)C(C(=O)NCNCCCC[C@H](N)C(O)=O)=C(O)[C@H]2N(C)C is A tetracycline-based broad-spectrum antibiotic. It is approximately 5000 times more soluble than tetracycline base and is unique amongst tetracyclines in that it is absorbed by the "active transport" process across the intestinal wall. It has the role of antimicrobial agent . It has the role of antiprotozoal drug . It has the role of antibacterial drug . It has the role of protein synthesis inhibitor . It is also related to or classified as tertiary alpha-hydroxy ketone  . It is also related to or classified as tetracyclines .
The molecule CCCCCCCCCCCCCCCC(O)=O CCCCCCCCCCCCCCCC(O)=O is A straight-chain, sixteen-carbon, saturated long-chain fatty acid. It has the role of plant metabolite . It has the role of EC 1.1.1.189 (prostaglandin-E2 9-reductase) inhibitor . It has the role of Daphnia magna metabolite . It has the role of algal metabolite . It is a conjugate acid of hexadecanoate . It is also related to or classified as long-chain fatty acid  . It is also related to or classified as straight-chain saturated fatty acid .
The molecule O(C(C[C@H](OC(C[C@H](OC(C[C@H](O)C)=O)C)=O)C)=O)[C@@H](CC(O[C@@H](CC([O-])=O)C)=O)C O(C(C[C@H](OC(C[C@H](OC(C[C@H](O)C)=O)C)=O)C)=O)[C@@H](CC(O[C@@H](CC([O-])=O)C)=O)C is A hydroxy monocarboxylic acid anion resulting from the deprotonation of the carboxy group of (3R)-3-{[(3R)-3-{[(3R)-3-{[(3R)-3-{[(3R)-3-hydroxybutanoyl]oxy}butanoyl]oxy}butanoyl]oxy}butanoyl]oxy}butanoate. A pentamer of (3R)-hydroxybutanoic acid; major microspecies at pH 7.3. Its functional parent is (R)-3-hydroxybutyrate . It is also related to or classified as hydroxy monocarboxylic acid anion .
The molecule CSC(=O)[C@@H](COP(=O)([O-])[O-])O is dianion of S-methyl 3-phospho-1-thio-D-glycerate arising from deprotonation of both OH groups of the phosphate. It is an organophosphate oxoanion and a thioester. It is a conjugate base of a S-methyl 3-phospho-1-thio-D-glycerate.
The molecule CCCN1C[C@@H](C[C@H]2[C@H]1CC3=CNC4=CC=CC2=C34)CSC.CS(=O)(=O)O is a methanesulfonate salt obtained from pergolide by mixing eqimolar amount of pergolide and methanesulfonic acid. A dopamine D2 receptor agonist which also has D1 and D2 agonist properties, it is used in the management of Parkinson's disease, although it was withdrawn from the U.S. and Canadian markets in 2007 due to an increased risk of cardiac valve dysfunction. It has a role as an antiparkinson drug and a dopamine agonist. It contains a pergolide(1+).
The molecule O1[C@]23[C@]4([C@@]5([C@H]([C@@]2(C([C@@H](O)C=C3)(C1=O)C)[H])C(O)=O)CC(C[C@@H]4O)C(C5)=C)[H] O1[C@]23[C@]4([C@@]5([C@H]([C@@]2(C([C@@H](O)C=C3)(C1=O)C)[H])C(O)=O)CC(C[C@@H]4O)C(C5)=C)[H] is 11beta-Hydroxygibberellin A7. It is also related to or classified as C19-gibberellin , gibberellin monocarboxylic acid .
The molecule C(=C/[C@H](C/C=C\CCCCC)OO)\C=C/C/C=C\CCCC(=O)NCCS([O-])(=O)=O C(=C/[C@H](C/C=C\CCCCC)OO)\C=C/C/C=C\CCCC(=O)NCCS([O-])(=O)=O is A fatty acid-taurine conjugate obtained by deprotonation of the sulfonate group of N-[12(S)-hydroperoxy-(5Z,8Z,10E,14Z)-icosatetraenoyl]taurine; major species at pH 7.3. It is also related to or classified as fatty acid-taurine conjugate(1-)  .
The molecule C1=CN=C(C=C1C(=O)O)C(=O)O is a pyridinedicarboxylic acid carrying carboxy groups at positions 2 and 4. It is a conjugate acid of a lutidinate(1-).
The molecule C1=CC(C2C1C3(C(=C(C2(C3(Cl)Cl)Cl)Cl)Cl)Cl)Cl is a cyclodiene organochlorine insecticide that is 3a,4,7,7a-tetrahydro-1H-4,7-methanoindene substituted by chlorine atoms at positions 1, 4, 5, 6, 7, 8 and 8. Formerly used to kill termites, ants and other insects in agricultural and domestic situations. It has a role as a GABA-gated chloride channel antagonist, an agrochemical, an antibacterial agent, a persistent organic pollutant and an antifungal agent. It derives from a hydride of a 1H-indene.
The molecule O=C(C[C@H](O)CCCCCCCCC)CCC1=CC(OC)=C(O)C=C1 O=C(C[C@H](O)CCCCCCCCC)CCC1=CC(OC)=C(O)C=C1 is (5R)-5-hydroxy-1-(4-hydroxy-3-methoxyphenyl)tetradecan-3-one.  It is also related to or classified as phenols  . It is also related to or classified as monomethoxybenzene , beta-hydroxy ketone .
The molecule C(CCCCCCC/C=C\CCCCCCCC)(NCCOP([O-])(=O)[O-])=O C(CCCCCCC/C=C\CCCCCCCC)(NCCOP([O-])(=O)[O-])=O is N-oleoylethanolamine phosphate(2-). It is also related to or classified as N-acylethanolamine phosphate(2-)  . It is also related to or classified as organic molecular entity .
The molecule C(C([O-])=O)C/C=C\CC(/C=C/C=C\C/C=C\C/C=C\C/C=C\CC)=O C(C([O-])=O)C/C=C\CC(/C=C/C=C\C/C=C\C/C=C\C/C=C\CC)=O is an oxodocosahexaenoate that is the conjugate base of (4Z,8E,10Z,13Z,16Z,19Z)-7-oxodocosahexaenoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. It is also related to or classified as oxodocosahexaenoate .
The molecule CCCCCCCCCCCCCCCCCCCCCC(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 is a very long-chain fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of 3-hydroxytetracosanoic acid. It has a role as a human metabolite and a Saccharomyces cerevisiae metabolite. It is a 3-hydroxy fatty acyl-CoA and a very long-chain fatty acyl-CoA. It derives from a 3-hydroxytetracosanoic acid. It is a conjugate acid of a 3-hydroxytetracosanoyl-CoA(4-).
The molecule 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[C@@H]5O[C@@H]([C@@H](O)[C@H](O)[C@H]5O)CO)CO[C@@H]6O[C@@H]([C@@H](O)[C@H](O)[C@H]6O)CO)C(O)(C)C)C)[H])(C1)C)C)(CC=C7[C@]2(CC[C@H](O[C@@H]8O[C@@H]([C@@H](O)[C@H](O)[C@H]8O)CO[C@@H]9O[C@@H]([C@@H](O)[C@H](O)[C@H]9O)CO)C7(C)C)[H])[H])C 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[C@@H]5O[C@@H]([C@@H](O)[C@H](O)[C@H]5O)CO)CO[C@@H]6O[C@@H]([C@@H](O)[C@H](O)[C@H]6O)CO)C(O)(C)C)C)[H])(C1)C)C)(CC=C7[C@]2(CC[C@H](O[C@@H]8O[C@@H]([C@@H](O)[C@H](O)[C@H]8O)CO[C@@H]9O[C@@H]([C@@H](O)[C@H](O)[C@H]9O)CO)C7(C)C)[H])[H])C is mogroside V. It has the role of plant metabolite . Its functional parent is Siamenoside I .  It is also related to or classified as beta-D-glucoside  . It is also related to or classified as mogroside .
The molecule CC(C)C[C@@H](C(=O)NCC(=O)[O-])[NH3+] is a dipeptide zwitterion obtained by transfer of a proton from the carboxy to the amino terminus of Leu-Gly. Major species at pH 7.3. It has a role as a metabolite. It is a tautomer of a Leu-Gly.
The molecule 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)S(=O)(=O)C3=CN(C=N3)C 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)S(=O)(=O)C3=CN(C=N3)C is N-[[(3R,9R,10R)-16-(dimethylamino)-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-9-yl]methyl]-N,1-dimethyl-4-imidazolesulfonamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule COP(=S)(OC)OC1=CC=C(C=C1)C#N is an organothiophosphate insecticide and an organic thiophosphate. It has a role as an agrochemical and an EC 3.1.1.7 (acetylcholinesterase) inhibitor. It derives from a 4-cyanophenol.
The molecule CO[C@H]1C[C@H](C)CC2=C(OC)C(=O)C=C(NC(=O)\C(C)=C\C=C/[C@H](OC)[C@@H](OC(N)=O)\C(C)=C\[C@H](C)[C@H]1O)C2=O CO[C@H]1C[C@H](C)CC2=C(OC)C(=O)C=C(NC(=O)\C(C)=C\C=C/[C@H](OC)[C@@H](OC(N)=O)\C(C)=C\[C@H](C)[C@H]1O)C2=O is an ansamycin consisting of a 19-membered macrocyle incorporating a benzoquinone ring and a lactam functionality. It shows antimicrobial activity against many Gram-positive and some Gram-negative bacteria. It has the role of antiviral agent . It has the role of antimicrobial agent . It has the role of antineoplastic agent . It has the role of Hsp90 inhibitor . It has the role of cysteine protease inhibitor . It is also related to or classified as 1,4-benzoquinones  . It is also related to or classified as ansamycin , carbamate ester , organic heterobicyclic compound .
The molecule O[C@H]1C[C@@H]2C(C3C(C4C([C@@H](O)CC4)(C)CC3)CC2)(C)CC1 O[C@H]1C[C@@H]2C(C3C(C4C([C@@H](O)CC4)(C)CC3)CC2)(C)CC1 is (3R,5R,17S)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,17-diol. It has the role of androgen . It is also related to or classified as 3-hydroxy steroid .
The molecule [C@H](OC(CCCCCCCCCCCCCCC)=O)(COP(OCC(COP(OC[C@H](OC(CCCCCCCCCCCCCCC)=O)COC(CCCCCCCCCCCCCCC)=O)(O)=O)O)(O)=O)COC(CCCCCCCCCCCCCCC)=O [C@H](OC(CCCCCCCCCCCCCCC)=O)(COP(OCC(COP(OC[C@H](OC(CCCCCCCCCCCCCCC)=O)COC(CCCCCCCCCCCCCCC)=O)(O)=O)O)(O)=O)COC(CCCCCCCCCCCCCCC)=O is A cardiolipin in which all four of the phosphatidyl acyl groups are specified as hexadecanoyl (pamitoyl). It has the role of Mycoplasma genitalium metabolite . Its functional parent is hexadecanoic acid . It is also related to or classified as cardiolipin  .
The molecule CCCCCCCCCCCCCCCCCCCCCC(C(C(=O)N[C@@H](COP(=O)(O)O[C@@H]1[C@@H]([C@@H]([C@H]([C@@H]([C@H]1OC2[C@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O)O)O)[C@@H](C(CCCCCCCCCCCCCCCC)O)O)O)O is a mannosylinositol phosphorylceramide compound having a tetracosanoyl group amide-linked to a C20 phytosphingosine base, with hydroxylation at C-2 and C-3 of the C24 very-long-chain fatty acid. It derives from an Ins-1-P-Cer(t20:0/2,3-OH-24:0).
The molecule C(C([O-])=O)CCCCC(/C=C/C=C\C/C=C\C=C\C(C/C=C\CC)OO)OO C(C([O-])=O)CCCCC(/C=C/C=C\C/C=C\C=C\C(C/C=C\CC)OO)OO is A hydroperoxydocosapentaenoate that is the conjugate base of (8E,10Z,13Z,15E,19Z)-7,17-bis(hydroperoxy)docosapentaenoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. It is also related to or classified as hydroperoxydocosapentaenoate .
The molecule C[Si](C)(C)CCC(=O)[O-] is a monocarboxylic acid anion that is the conjugate base of 3-(trimethylsilyl)propionic acid, obtained by deprotonation of the carboxy group. It is a conjugate base of a 3-(trimethylsilyl)propionic acid.
The molecule C(C(NCCS([O-])(=O)=O)=O)CCCCCCCCCCCC C(C(NCCS([O-])(=O)=O)=O)CCCCCCCCCCCC is A fatty acid-taurine conjugate obtained by deprotonation of the sulfonate group of N-tetradecanoyltaurine; major species at pH 7.3. It is also related to or classified as fatty acid-taurine conjugate(1-)  .
The molecule C1=CC(=CC=C1C[C@@H](C(=O)O)N)[O] is a tyrosinyl radical. It derives from a L-tyrosine. It is a conjugate base of a L-tyrosinyl radical cation. It is an enantiomer of a D-tyrosinyl radical.
The molecule CNC1=C(C(=CC(=N1)C2=CC=CS2)C(F)(F)F)C#N CNC1=C(C(=CC(=N1)C2=CC=CS2)C(F)(F)F)C#N is 2-(methylamino)-6-thiophen-2-yl-4-(trifluoromethyl)-3-pyridinecarbonitrile. It is also related to or classified as nitrile  . It is also related to or classified as pyridines .
The molecule CC(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)O is a dipeptide obtained by formal condensation of the carboxy group of N-acetyl-L-methionine with the amino group of L-phenylalanine. It is an acetamide and a dipeptide.
The molecule [C@@H](N)(C(=O)O)CC=1C=CC(=CC1)C=2N=NC(=NN2)CC [C@@H](N)(C(=O)O)CC=1C=CC(=CC1)C=2N=NC(=NN2)CC is A non-proteinogenic amino acid that contains a 1,2,4,5-tetrazine-ethyl group that can be used for bio-orthogonal, click-chemistry reactions when reacted with strained trans-cyclooctenes. It is also related to or classified as organic molecular entity .
The molecule O=C(OC(CC)C)N1C(CCCC1)CCO O=C(OC(CC)C)N1C(CCCC1)CCO is butan-2-yl 2-(2-hydroxyethyl)piperidine-1-carboxylate.  It is also related to or classified as carboxylic acid  . It is also related to or classified as piperidines .
The molecule CC(=CCC/C(=C/CC/C(=C/CC[C@@]1(CCC2=C(O1)C=CC(=C2)O)C)/C)/C)C is a tocotrienol that is chroman-6-ol substituted by a methyl group at position 2 and a farnesyl group at position 2. It has a role as a plant metabolite.
The molecule O=C1N([C@H](C(=O)N[C@H]1CC=2C3=C(C=CC=C3)N(C2)C(C=C)(C)C)CC(C)C)C O=C1N([C@H](C(=O)N[C@H]1CC=2C3=C(C=CC=C3)N(C2)C(C=C)(C)C)CC(C)C)C is Rufomyzaine. Its functional parent is alpha-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .
The molecule OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c1[NH+]=CNCC2=O OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c1[NH+]=CNCC2=O is an iminium ion obtained by selective protonation at position 4 on the diazepin ring of dehydrocoformycin. It is thought to be the major species at pH 7.3. It is a conjugate acid of dehydrocoformycin . It is also related to or classified as iminium ion .
The molecule CCCCC/C=C\\C/C=C\\C/C=C\\C/C=C\\CCCC(=O)OCC[N+](C)(C)C is an acylcholine obtained by formal condensation of the carboxy group of arachidonic acid with the hydroxy group of choline. It has a role as a cholinergic agonist. It derives from an arachidonic acid.
The molecule CCCCC/C=C\\C[C@H](C/C=C/C=C/[C@H]([C@H](CCCC(=O)[O-])O)SC[C@@H](C(=O)[O-])[NH3+])O is an icosanoid anion that is the conjugate base of (12R)-hydroxy-10,11-dihydroleukotriene E4, obtained by deprotonation of the carboxy group; major species at pH 7.3. It is an icosanoid anion and a dicarboxylic acid monoanion. It is a conjugate base of a (12R)-hydroxy-10,11-dihydroleukotriene E4.
The molecule OC(=O)[C@H](CC=1C=CC(=CC1)C=2N=NC(=NN2)C)N OC(=O)[C@H](CC=1C=CC(=CC1)C=2N=NC(=NN2)C)N is A non-proteinogenic amino acid that contains a 1,2,4,5-tetrazine-methyl group that can be used for bio-orthogonal, click-chemistry reactions when reacted with strained trans-cyclooctenes. It is also related to or classified as organic molecular entity .