anonymous041/ChEBI-Augmented huggingface dataset:
The molecule C(=C/C=C/C(CCCCCCCC([O-])=O)=O)/CCCCC C(=C/C=C/C(CCCCCCCC([O-])=O)=O)/CCCCC is A octadecanoid anion that is the conjugate base of 9-oxo-ODE, obtained by deprotonation of the carboxy group; major species at pH 7.3.   It is also related to or classified as long-chain fatty acid anion  . It is also related to or classified as octadecanoid anion , oxo fatty acid anion .
The molecule [H]C1(CC=C2C34OC3(CCC12C)C1(C)CCC(O)CC1CC4=O)C(C)CCCC(C)C [H]C1(CC=C2C34OC3(CCC12C)C1(C)CCC(O)CC1CC4=O)C(C)CCCC(C)C is astropectenol C. It has the role of animal metabolite . It has the role of marine metabolite .   It is also related to or classified as 3beta-hydroxy steroid  . It is also related to or classified as 7-oxo steroid  . It is also related to or classified as C27-steroid , epoxy steroid .
The molecule OS(=O)(=O)Oc1ccccc1 OS(=O)(=O)Oc1ccccc1 is an aryl sulfate that is phenol bearing an O-sulfo substituent. It has the role of human xenobiotic metabolite . Its functional parent is phenol . It is a conjugate acid of phenyl sulfate . It is also related to or classified as aryl sulfate .
The molecule CCCCOC(=O)c1ccc(N)cc1 CCCCOC(=O)c1ccc(N)cc1 is an amino acid ester resulting from the formal condensation of the carboxy group of 4-aminobenzoic acid with the hydroxy group of butan-1-ol. Its local anaesthetic properties have been used for surface anaesthesia of the skin and mucous membranes, and for relief of pain and itching associated with some anorectal disorders. It has the role of local anaesthetic . Its functional parent is butan-1-ol . Its functional parent is 4-aminobenzoic acid . It is also related to or classified as benzoate ester , amino-acid ester , substituted aniline , primary amino compound .
The molecule CCC1C(=O)C(=C(O1)C)O is a member of the class of furans that is furan-3(2H)-one carrying additional ethyl, hydroxy and methyl substituents at positions 2, 4 and 5 respectively. A key aroma compound in soy sauce and fish sauce. It has a role as a Saccharomyces cerevisiae metabolite. It is a cyclic ketone, an enol and a member of furans.
The molecule CC(=C)C1CCC(=CC1)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 CC(=C)C1CCC(=CC1)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 an acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of perillic acid. It has the role of mouse metabolite . Its functional parent is perillic acid . It is also related to or classified as acyl-CoA  .
The molecule O(C(=O)CC(CC=O)/C(=C/C)/C=O)CCC1=CC=C(O)C=C1 O(C(=O)CC(CC=O)/C(=C/C)/C=O)CCC1=CC=C(O)C=C1 is 3'-Deoxyoleacein. It is also related to or classified as alcohol  . It is also related to or classified as phenols  .
The molecule C1CCC([C@]2([C@@]1(CC[C@H]([C@@H]2O)C(C)C)C)[H])=C C1CCC([C@]2([C@@]1(CC[C@H]([C@@H]2O)C(C)C)C)[H])=C is A eudesmane sesquiterpenoid that is 4a-methyl-8-methylidene-decahydronaphthalene carrying additional hydroxy and isopropyl substituents at positions 1 and 2 respectively (the 1S,2S,4aS,8aS-diastereomer). It is also related to or classified as homoallylic alcohol  . It is also related to or classified as secondary alcohol  . It is also related to or classified as eudesmane sesquiterpenoid .
The molecule O\C(=C/C(=C/C([O-])=O)C([O-])=O)C([O-])=O O\C(=C/C(=C/C([O-])=O)C([O-])=O)C([O-])=O is tricarboxylate anion of 4-carboxy-2-hydroxyhexa-2,4-dienedioic acid; major species at pH 7.3. It is also related to or classified as tricarboxylic acid trianion .
The molecule OCC=Cc1ccccc1 OCC=Cc1ccccc1 is A primary alcohol comprising an allyl core with a hydroxy substituent at the 1-position and a phenyl substituent at the 3-position (geometry of the C=C bond unspecified). It has the role of plant metabolite . It is also related to or classified as primary alcohol  .
The molecule NC(CC(=O)c1cc(O)ccc1N)C(O)=O NC(CC(=O)c1cc(O)ccc1N)C(O)=O is A  hydroxykynurenine  that is kynurenine bearing a hydroxy group at the position 5. It has the role of human metabolite . It is also related to or classified as hydroxykynurenine .
The molecule O[C@]1([C@]2([C@]([C@@H](CC1)C(C)C)(C=C(CC2)C)[H])[H])C O[C@]1([C@]2([C@]([C@@H](CC1)C(C)C)(C=C(CC2)C)[H])[H])C is A cadinane sesquiterpenoid that is cadin-4-ene carrying a hydroxy substituent at position 10. It has the role of fungicide . It has the role of volatile oil component . It has the role of plant metabolite .   It is also related to or classified as tertiary alcohol  . It is also related to or classified as octahydronaphthalenes , cadinane sesquiterpenoid , carbobicyclic compound .
The molecule S([N-]C=1N=CC(=CN1)OCCOC)(=O)(=O)C2=CC=CC=C2.[Na+] S([N-]C=1N=CC(=CN1)OCCOC)(=O)(=O)C2=CC=CC=C2.[Na+] is the organic sodium salt of glymidine. It is a hypoglycemic drug used for the treatment of diabetes mellitus. It has the role of hypoglycemic agent . It is also related to or classified as organic sodium salt .
The molecule [H][C@]12SCC(\C=C/c3scnc3C)=C(N1C(=O)[C@H]2NC(=O)C(=N/OC)\c1csc(N)n1)C(O)=O [H][C@]12SCC(\C=C/c3scnc3C)=C(N1C(=O)[C@H]2NC(=O)C(=N/OC)\c1csc(N)n1)C(O)=O is A broad spectrum, third-generation cephalosporin antibiotic with (Z)-2-(4-methyl-1,3-thiazol-5-yl)ethenyl and (2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetamido groups at positions 3 and 7, respectively, of the cephem skeleton. Generally administered as its orally absorbed pivaloyloxymethyl ester prodrug, it is used for the treatment of mild to moderate infections caused by susceptible strains of microorganisms in acute bacterial exacerbation of chronic bronchitis, community-acquired pneumonia, pharyngitis/tonsillitis, and uncomplicated skin and skin-structure infections. It has the role of antibacterial drug . It is also related to or classified as cephalosporin  . It is also related to or classified as carboxylic acid  .
The molecule OC(CCCCCCCCC(O)CC(O)=O)CCCC OC(CCCCCCCCC(O)CC(O)=O)CCCC is 3,12-dihydroxy palmitic acid. It is also related to or classified as long-chain fatty acid  .
The molecule C12=C(C)C3=[N+]4C(=CC5=[N+]6C(=C(C7=[N+]8[C@@]([C@@]9(N1[Co-3]684([N+]=%10C%11=CC(=C(C=C%11N(C%10)[C@@H]%12[C@@H]([C@@H]([C@H](O%12)CO)OP([O-])(O[C@](CNC(CC[C@@]2([C@H]9CC(N)=O)C)=O)([H])C)=O)O)C)C)ON=O)[H])([C@@]([C@@H]7CCC(N)=O)(C)CC(N)=O)C)C)[C@@]([C@@H]5CCC(N)=O)(C)CC(N)=O)C([C@@H]3CCC(N)=O)(C)C C12=C(C)C3=[N+]4C(=CC5=[N+]6C(=C(C7=[N+]8[C@@]([C@@]9(N1[Co-3]684([N+]=%10C%11=CC(=C(C=C%11N(C%10)[C@@H]%12[C@@H]([C@@H]([C@H](O%12)CO)OP([O-])(O[C@](CNC(CC[C@@]2([C@H]9CC(N)=O)C)=O)([H])C)=O)O)C)C)ON=O)[H])([C@@]([C@@H]7CCC(N)=O)(C)CC(N)=O)C)C)[C@@]([C@@H]5CCC(N)=O)(C)CC(N)=O)C([C@@H]3CCC(N)=O)(C)C is nitritocobalamin. It is also related to or classified as R-cob(III)alamin  . It is also related to or classified as cobalamins .
The molecule [NH3+]CCCC[NH2+]CCCC[NH3+] [NH3+]CCCC[NH2+]CCCC[NH3+] is trication of sym-homospermidine arising from protonation of all three amino groups; major species at pH 7.3. It is a conjugate acid of sym-homospermidine . It is also related to or classified as ammonium ion derivative .
The molecule C/C=C/C1=CC=C(C=C1)O is a phenylpropanoid that is phenol substituted at position 4 by a prop-1-enyl group (the trans-isomer) It is a phenylpropanoid and a member of phenols. It derives from a phenol.
The molecule C[C@H]1OC(OP([O-])(=O)OP([O-])(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2ccc(=O)[nH]c2=O)[C@H](O)[C@@H](O)C1=O C[C@H]1OC(OP([O-])(=O)OP([O-])(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2ccc(=O)[nH]c2=O)[C@H](O)[C@@H](O)C1=O is dianion of UDP-4-dehydro-6-deoxy-D-glucose; major species at pH 7.3. It is also related to or classified as nucleotide-sugar oxoanion .
The molecule C(CC/C=C\CCCCCCO)CCCCC(O)=O C(CC/C=C\CCCCCCO)CCCCC(O)=O is an omega-hydroxy-long-chain fatty acid that is palmitoleic acid [(9Z)-16-hexadec-9-enoic acid) which is substituted by a hydroxy group at the terminal carbon. It is a conjugate acid of (9Z)-16-hydroxyhexadec-9-enoate . It is also related to or classified as omega-hydroxy-long-chain fatty acid  . It is also related to or classified as monounsaturated fatty acid .
The molecule O(C=1C=CC(=CC1Br)Br)C=2C=CC(=CC2)Br O(C=1C=CC(=CC1Br)Br)C=2C=CC(=CC2)Br is A polybromodiphenyl ether that is diphenyl ether in which the hydrogens at the 2, 4, and 4' positions have been replaced by bromines. It is also related to or classified as polybromodiphenyl ether .
The molecule C1=CN(C=N1)C1=CC=CC=C1 C1=CN(C=N1)C1=CC=CC=C1 is A member of the class of imidazoles that is 1H-imidazole substituted by a phenyl group at position 1. It has the role of P450 inhibitor . It is also related to or classified as benzenes , imidazoles .
The molecule O(C(=O)CC(C)C)C1=CC=C(C=C1)C O(C(=O)CC(C)C)C1=CC=C(C=C1)C is 4-Methylphenyl 3-methylbutanoate. It is also related to or classified as phenols  . It is also related to or classified as benzoate ester .
The molecule [H][C@@]12CC[C@]3([H])[C@]([H])(CC[C@]4(C)[C@]([H])(CC[C@@]34[H])[C@H](C)CC[C@@H](C)C(C)C)[C@@]1(C)CC[C@H](O)C2 [H][C@@]12CC[C@]3([H])[C@]([H])(CC[C@]4(C)[C@]([H])(CC[C@@]34[H])[C@H](C)CC[C@@H](C)C(C)C)[C@@]1(C)CC[C@H](O)C2 is campestanol. It is also related to or classified as C28-steroid  . It is also related to or classified as 3beta-sterol  .
The molecule C=1(C(=CC(=CC1)O)C)O C=1(C(=CC(=CC1)O)C)O is A member of the class of hydroquinones that is hydroquinone in which one of the benzene hydrogens has been replaced by a methyl group. It has the role of angiogenesis inhibitor . It has the role of anti-inflammatory agent . It has the role of Penicillium metabolite . It is also related to or classified as hydroquinones  .
The molecule C1=CC=C(C=C1)CC(=O)NCC(=O)O is a N-acylglycine that is glycine substituted on nitrogen with a phenylacetyl group. It has a role as a mouse metabolite and a human metabolite. It is a monocarboxylic acid amide, a monocarboxylic acid and a N-acylglycine. It is a conjugate acid of a phenylacetylglycine(1-).
The molecule O=C\C=C\c1ccccc1 O=C\C=C\c1ccccc1 is the E (trans) stereoisomer of cinnamaldehyde, the parent of the class of cinnamaldehydes. It has the role of sensitiser . It has the role of hypoglycemic agent . It has the role of flavouring agent . It has the role of vasodilator agent . It has the role of antifungal agent . It has the role of EC 4.3.1.24 (phenylalanine ammonia-lyase) inhibitor . It has the role of plant metabolite . It is also related to or classified as 3-phenylprop-2-enal  . It is also related to or classified as cinnamaldehydes .
The molecule F[Au-](F)(F)F F[Au-](F)(F)F is tetrafluoroaurate(1-). It is also related to or classified as gold coordination entity , perfluorometallate anion .
The molecule [O-]ON=O [O-]ON=O is the nitrogen oxoanion formed by loss of a proton from peroxynitrous acid. It has the role of human metabolite . It is also related to or classified as reactive oxygen species , nitrogen oxoanion , reactive nitrogen species .
The molecule C1([C@H]([C@H](OC([C@@H]([C@H]([C@@H](O1)C)OC(CC(C)C)=O)CCCCCC)=O)C)NC(C2=C(C(=CC=C2)NC(=O)[H])O)=O)=O C1([C@H]([C@H](OC([C@@H]([C@H]([C@@H](O1)C)OC(CC(C)C)=O)CCCCCC)=O)C)NC(C2=C(C(=CC=C2)NC(=O)[H])O)=O)=O is A nine-membered bis-lactone having methyl substituents at the 2- and 6-positions, an n-hexyl substituent at the 8-position, an acyloxy substituent at the 7-position and an aroylamido substituent at the 3-position. It is produced by Streptomyces bacteria and has found commercial use as a fish poison. It has the role of piscicide . It has the role of mitochondrial respiratory-chain inhibitor . It has the role of antifungal agent .    It is also related to or classified as phenols  . It is also related to or classified as macrodiolide , benzamides , formamides .
The molecule C1[C@H]([C@@H]([C@@H](C(O1)(COP(=O)(O)O)O)O)O)O is a ketohexose monophosphate that is D-tagatopyranose in which the phosphono substituent is located at position 1. It derives from a D-tagatopyranose. It is a conjugate acid of a D-tagatopyranose 1-phosphate(2-).
The molecule CC(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@@H](O)C(=O)NCCC(=O)NCCSC(=O)COc1ccccc1 CC(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@@H](O)C(=O)NCCC(=O)NCCSC(=O)COc1ccccc1 is an acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of phenoxyacetic acid. Its functional parent is phenoxyacetic acid . It is also related to or classified as acyl-CoA  .
The molecule Oc1c(Br)cc2c(Oc3c(Br)c(O)c(Br)cc3C22OC(=O)c3ccccc23)c1Br Oc1c(Br)cc2c(Oc3c(Br)c(O)c(Br)cc3C22OC(=O)c3ccccc23)c1Br is bromoeosin. Its functional parent is fluorescein (lactone form) . It is also related to or classified as organobromine compound  .
The molecule C(CC/C=C\CCCCCCO)CCCCC([O-])=O C(CC/C=C\CCCCCCO)CCCCC([O-])=O is an omega-hydroxy-long-chain fatty acid anion resulting from the deprotonation of the carboxy group of (9Z)-16-hydroxyhexadec-9-enoic acid. The major species at pH 7.3. It is also related to or classified as omega-hydroxy-long-chain fatty acid anion  . It is also related to or classified as monounsaturated fatty acid anion  .
The molecule NC(=O)Nc1[nH]cnc1C(O)=O NC(=O)Nc1[nH]cnc1C(O)=O is an imidazole-4-carboxylic acid compound having a ureido substituent at the 5-position. It is also related to or classified as imidazole-4-carboxylic acid , ureas .
The molecule O[C@@H]1C=CC(=C[C@H]1OC(=C)C([O-])=O)C([O-])=O O[C@@H]1C=CC(=C[C@H]1OC(=C)C([O-])=O)C([O-])=O is chorismate(2-). It has the role of Saccharomyces cerevisiae metabolite . It is also related to or classified as polyunsaturated dicarboxylic acid dianion  .
The molecule C/C(=C\CC\C(\C)=C\C[C@]12C(C=C(C([C@H]1O2)=O)COC(CC(CC(O)=O)(O)C)=O)=O)/CCC=C(C)C C/C(=C\CC\C(\C)=C\C[C@]12C(C=C(C([C@H]1O2)=O)COC(CC(CC(O)=O)(O)C)=O)=O)/CCC=C(C)C is A class I yanuthone that is yanuthone E in which the secondary hydroxy group has been oxidised to the corresponding ketone. It is the only one of the sixteen yanuthones described up to 2015 to display strong antimicrobial activity. It has the role of antifungal agent . It has the role of Aspergillus metabolite . Its functional parent is yanuthone E . Its functional parent is 3-hydroxy-3-methylglutaric acid .  It is also related to or classified as tertiary alcohol  . It is also related to or classified as class I yanuthone , dicarboxylic acid monoester .
The molecule C1=CC2=C(C=CC(=C2N=O)O)C=C1S(=O)(=O)O is an arenesulfonic acid that is 5,6-dihydronaphthalene-2-sulfonic acid bearing hydroxyimino and oxo substituents at positions 5 and 6 respectively. The trisodium-iron(3+) salt is the biological stain 'naphthol green B'. It is an arenesulfonic acid, a ketoxime and a naphthalenone. It is a conjugate acid of a 5-(oxidoimino)-6-oxo-5,6-dihydronaphthalene-2-sulfonate.
The molecule CCCCCCC(=O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O CCCCCCC(=O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O is Heptopyranosides. It is also related to or classified as O-acyl carbohydrate , fatty acid derivative .
The molecule OC(=O)CNC(=O)Cc1ccccc1 OC(=O)CNC(=O)Cc1ccccc1 is A N-acylglycine that is glycine substituted on nitrogen with a phenylacetyl group. It has the role of mouse metabolite . It has the role of human metabolite . It is a conjugate acid of phenylacetylglycine(1-) . It is also related to or classified as N-acylglycine  .  It is also related to or classified as monocarboxylic acid amide  . It is also related to or classified as monocarboxylic acid .
The molecule O1C(C(O)C(O)C(O)C1OC2=C(OC3=C(C2=O)C(OC)=C(OC)C(O)=C3OC)C4=CC(OC)=C(O)C=C4)CO O1C(C(O)C(O)C(O)C1OC2=C(OC3=C(C2=O)C(OC)=C(OC)C(O)=C3OC)C4=CC(OC)=C(O)C=C4)CO is 3',5,6-Trihydroxy-3,4',7,8-tetramethoxyflavone 3-glucoside. It is also related to or classified as glycoside  . It is also related to or classified as flavonoids .
The molecule C12=CC=CC=C1N=C3C(=C2)CN4C(C5=C(C=C34)[C@](CC(OC5)=O)(CC)O)=O C12=CC=CC=C1N=C3C(=C2)CN4C(C5=C(C=C34)[C@](CC(OC5)=O)(CC)O)=O is an organic heteropentacyclic compound that is (5R)-5-ethyl-5-hydroxy-8-(quinolin-3-ylmethyl)-1,4,5,8-tetrahydrooxepino[3,4-c]pyridine-3,9-dione in which position 7 of the oxepinopyridine group has been joined to position 2 of the quinoline ring by a single bond. A semisynthetic analogue of camptothecin, it is an inhibitor of topoisomerase I. It has the role of antineoplastic agent . It has the role of EC 5.99.1.2 (DNA topoisomerase) inhibitor . It is also related to or classified as tertiary alcohol  . It is also related to or classified as organonitrogen heterocyclic compound , organic heteropentacyclic compound , epsilon-lactone .
The molecule CC(C)C(=O)/C=C\\C=C(/C(=O)O)\\O is an alpha,beta-unsaturated monocarboxylic acid that is (2E,4Z)-7-methyl-2,4-octadienoic acid carrying hydroxy and oxo substituents at positions 2 and 6 respectively. It is an alpha,beta-unsaturated monocarboxylic acid, a 2-hydroxy monocarboxylic acid and a 6-oxo monocarboxylic acid. It is a conjugate acid of a (2E,4Z)-2-hydroxy-7-methyl-6-oxo-2,4-octadienoate.
The molecule CCCCCCCC(=O)OCC(COC(=O)CCCCCCC)OC(=O)CCCCCCC CCCCCCCC(=O)OCC(COC(=O)CCCCCCC)OC(=O)CCCCCCC is A triglyceride obtained by acylation of the three hydroxy groups of glycerol by octanoic acid. Used as an alternative energy source to glucose for patients with mild to moderate Alzheimer's disease. It has the role of anticonvulsant . It has the role of plant metabolite . It is also related to or classified as triglyceride  . It is also related to or classified as octanoate ester  .
The molecule [C@@H]1(N2C(NC(=O)C(=C2)C)=O)O[C@H](COP(OP(O[C@H]3O[C@@H]([C@H]([C@@H]([C@H]3O)O)NC([H])=O)C)(=O)[O-])(=O)[O-])[C@H](C1)O [C@@H]1(N2C(NC(=O)C(=C2)C)=O)O[C@H](COP(OP(O[C@H]3O[C@@H]([C@H]([C@@H]([C@H]3O)O)NC([H])=O)C)(=O)[O-])(=O)[O-])[C@H](C1)O is A nucleotide-sugar oxoanion obtained by deprotonation of the diphosphate OH groups of dTDP-4-formamido-4,6-dideoxy-alpha-D-glucose. Major microspecies at pH 7.3. It is also related to or classified as nucleotide-sugar oxoanion .
The molecule CC(C)[C@]1(C(=O)NC(=N1)C2=C(C=C(C=N2)COC)C(=O)[O-])C.[NH4+] is an ammonium salt resulting from the formal reaction of the carboxy group of (S)-imazamox with 1 mol eq. of ammonia. It contains a (S)-imazamox(1-). It is an enantiomer of a (R)-imazamox-ammonium.
The molecule OC=1C(=C(CCCCCCC/C=C/C/C=C/C/C=C\CC)C=CC1)C(O)=O OC=1C(=C(CCCCCCC/C=C/C/C=C/C/C=C\CC)C=CC1)C(O)=O is Antibiotic SB 202742. Its functional parent is salicylic acid . It is also related to or classified as hydroxybenzoic acid .
The molecule O(C(C1=CC=CC=C1)C)C(=O)C(C)C O(C(C1=CC=CC=C1)C)C(=O)C(C)C is 1-Phenylethyl isobutyrate. Its functional parent is benzyl alcohol . It is also related to or classified as carboxylic ester  .
The molecule Cc1c[nH]c(=O)nc1N Cc1c[nH]c(=O)nc1N is A pyrimidine that is a derivative of cytosine, having a methyl group at the 5-position. It has the role of human metabolite . Its functional parent is cytosine . It is also related to or classified as methylcytosine , pyrimidines .
The molecule O(C(=O)CC(C)C)CC1=CC=CC=C1 O(C(=O)CC(C)C)CC1=CC=CC=C1 is Benzyl 3-methylbutanoate. Its functional parent is benzyl alcohol . It is also related to or classified as carboxylic ester  .
The molecule [H][C@@](C)(CCC(=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@@]1([H])CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])C[C@H](O)[C@]12C [H][C@@](C)(CCC(=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@@]1([H])CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])C[C@H](O)[C@]12C is A steroidal acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of cholic acid. Its functional parent is cholic acid . It is a conjugate acid of choloyl-CoA(4-) . It is also related to or classified as choloyl-CoAs .
The molecule C/C(=C\CC\C(\C)=C\C[C@]12C(C=C([C@H]([C@H]1O2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)C)=O)/CC/C=C(\C)/CO C/C(=C\CC\C(\C)=C\C[C@]12C(C=C([C@H]([C@H]1O2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)C)=O)/CC/C=C(\C)/CO is A class I yanuthone that is yanuthone F in which the hydroxy group attached to the epoxycyclohexenone ring has been converted into the corresponding beta-D-glucoside. It has the role of Aspergillus metabolite . Its functional parent is yanuthone F .  It is also related to or classified as beta-D-glucoside  . It is also related to or classified as class I yanuthone .
The molecule COCCOCCOCCOCCOCCOCCOCCOCCOCCO COCCOCCOCCOCCOCCOCCOCCOCCOCCO is nonaethylene glycol in which one of the hydroxy groups is substituted by methoxy. Its functional parent is nonaethylene glycol . It is also related to or classified as hydroxypolyether  .
The molecule O=C(O[C@]1([C@@H](O[C@]2(O[C@@H]([C@@H](C)CC2)C/C=C(/C=C/[C@H](O)[C@H](/C=C/C(=O)O)C)\C)CC1)/C=C/C(=C/C(=O)O)/C)CCCCC)/C=C/C(=O)OC O=C(O[C@]1([C@@H](O[C@]2(O[C@@H]([C@@H](C)CC2)C/C=C(/C=C/[C@H](O)[C@H](/C=C/C(=O)O)C)\C)CC1)/C=C/C(=C/C(=O)O)/C)CCCCC)/C=C/C(=O)OC is Reveromycin D 4' methyl ester. It is also related to or classified as diterpene glycoside .
The molecule [H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)[C@H](N)c1ccccc1)C(=O)OCOC(=O)[C@@H]1N2C(=O)C[C@@]2([H])S(=O)(=O)C1(C)C [H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)[C@H](N)c1ccccc1)C(=O)OCOC(=O)[C@@H]1N2C(=O)C[C@@]2([H])S(=O)(=O)C1(C)C is sultamicillin. Its functional parent is ampicillin . Its functional parent is sulbactam . It is also related to or classified as penicillanic acid ester .
The molecule O1C2=C(C(OC)=C(OC)C(O)=C2)C(=O)C(OC)=C1C3=CC(OC)=C(O)C=C3 O1C2=C(C(OC)=C(OC)C(O)=C2)C(=O)C(OC)=C1C3=CC(OC)=C(O)C=C3 is Quercetagetin 3,5,6,3'-tetramethyl ether. It is also related to or classified as ether  . It is also related to or classified as flavonoids .
The molecule CCCCCCCC/C=C\\CCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCC/C=C\\CCCCCCCC is a phosphatidylcholine 40:2 in which the acyl group specified at positions 1 and 2 is (11Z)-eicosenoyl respectively. It derives from an (11Z)-icos-11-enoic acid.
The molecule O1[C@@H]([C@@H](O)[C@H](O)[C@@H](O)[C@@H]1OC=2C(C(=O)CCC3=CC4=C(OC=C4)C=C3)=C(O)C=C(C2)C)COC(OC)=O O1[C@@H]([C@@H](O)[C@H](O)[C@@H](O)[C@@H]1OC=2C(C(=O)CCC3=CC4=C(OC=C4)C=C3)=C(O)C=C(C2)C)COC(OC)=O is ((2R,3S,4S,5R,6S)-6-(2-(3-(Benzofuran-5-yl)propanoyl)-3-hydroxy-5-methylphenoxy)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)methyl methyl carbonate. It is also related to or classified as glycoside  . It is also related to or classified as flavonoids .
The molecule C12=CC(=C(C=C1N=C3C(=C2)CN4C(C5=C(C=C43)[C@](CC(OC5)=O)(CC)O)=O)F)F C12=CC(=C(C=C1N=C3C(=C2)CN4C(C5=C(C=C43)[C@](CC(OC5)=O)(CC)O)=O)F)F is an organic heteropentacyclic compound that is (5R)-8-[(6,7-difluoroquinolin-3-yl)methyl]-5-ethyl-5-hydroxy-1,4,5,8-tetrahydrooxepino[3,4-c]pyridine-3,9-dione in which position 7 of the oxepinopyridine moiety is joined to position 3 of the difluoroquinoine ring by a single bond. An E-ring modified camptothecin analogue that has greater lactone stability in plasma compared with other topoisomerase I inhibitors. It has the role of antineoplastic agent . It has the role of EC 5.99.1.2 (DNA topoisomerase) inhibitor . Its functional parent is (R)-homocamptothecin . It is also related to or classified as tertiary alcohol  . It is also related to or classified as organofluorine compound  . It is also related to or classified as organonitrogen heterocyclic compound , organic heteropentacyclic compound , epsilon-lactone .
The molecule C1CN(CCN1CCCC2(C3=CC=CC=C3)OCCO2)C(C4=CC=CC=C4)C5=CC=CC=C5 C1CN(CCN1CCCC2(C3=CC=CC=C3)OCCO2)C(C4=CC=CC=C4)C5=CC=CC=C5 is an N-alkylpiperazine in which the two amino hydrogens of piperazine have been replaced by diphenylmethyl and 3-(2-phenyl-1,3-dioxolan-2-yl)propyl groups. A calcium channel blocker and serotonin (5-HT2) receptor antagonist used in the treatment of migraine. It has the role of vasodilator agent . It has the role of calcium channel blocker . It has the role of serotonergic antagonist . It is also related to or classified as dioxolane , N-alkylpiperazine , cyclic ketal .
The molecule CC1C(=O)NC(=O)NC1=O CC1C(=O)NC(=O)NC1=O is 5-methylbarbituric acid. It is a conjugate acid of 5-methylbarbituride . It is also related to or classified as barbiturates  .