anonymous041/ChEBI-Augmented huggingface dataset:
The molecule [H][C@]12[C@@H](O)C[C@H](C)[C@H](O)[C@@]1(C)Oc1cc(OC)cc(O)c1C2=O [H][C@]12[C@@H](O)C[C@H](C)[C@H](O)[C@@]1(C)Oc1cc(OC)cc(O)c1C2=O is A member of the class of xanthones that is 1,2,3,4,4a,9a-hexahydro-9H-xanthen-9-one substituted by hydroxy groups at positions 1, 4 and 8, methyl groups at positions 3 and 4a and a methoxy group at position 6 (the 1S,3S,4S,4aS,9aS stereoisomer). Isolated from the marine algicolous fungus Monodictys putredinis, it exhibits antineoplastic activity. It has the role of metabolite . It has the role of antineoplastic agent . It is also related to or classified as phenols  .  It is also related to or classified as secondary alcohol  . It is also related to or classified as aromatic ether .
The molecule O.O.C/C=N/C(C(=O)[O-])C(C)O.[Fe+2].C/C=N/C(C(=O)[O-])C(C)O O.O.C/C=N/C(C(=O)[O-])C(C)O.[Fe+2].C/C=N/C(C(=O)[O-])C(C)O is Ferrotrenine. Its functional parent is alpha-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .
The molecule CCOP(O)(=O)OP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H](C[C@@H]1O)n1ccc(=O)[nH]c1=O CCOP(O)(=O)OP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H](C[C@@H]1O)n1ccc(=O)[nH]c1=O is an organic triphosphate formed by condensation between the gamma-phospho group of 2'-deoxyuridine 5'-triphosphate and ethanol. Its functional parent is ethanol . Its functional parent is dUTP . It is also related to or classified as organic triphosphate .
The molecule [H][C@@]12CC=C3C[C@H](CC[C@]3(C)[C@@]1([H])CC[C@]1(C)C(=O)CC[C@@]21[H])O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O [H][C@@]12CC=C3C[C@H](CC[C@]3(C)[C@@]1([H])CC[C@]1(C)C(=O)CC[C@@]21[H])O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O is A steroid glucosiduronic acid having dehydroepiandrosterone as the steroid component. It has the role of metabolite . Its functional parent is dehydroepiandrosterone . Its functional parent is beta-D-glucuronic acid . It is a conjugate acid of dehydroepiandrosterone 3-O-(beta-D-glucuronide)(1-) . It is also related to or classified as steroid glucosiduronic acid .
The molecule C1=CC(=C(C=C1C2=CC(=O)C3=C(C=C(C=C3O2)O)O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O is a glycosyloxyflavone that is luteolin substituted by a beta-D-glucopyranosyl residue at position 4' via a glycosidic linkage. It has been isolated from Olea europaea. It has a role as a plant metabolite. It is a glycosyloxyflavone, a monosaccharide derivative, a beta-D-glucoside and a trihydroxyflavone. It derives from a luteolin.
The molecule C1(CCCCCCCC(=O)O)C(CCCCCCC(O)C)O1 C1(CCCCCCCC(=O)O)C(CCCCCCC(O)C)O1 is an epoxy fatty acid that is 9,10-epoxyoctadecanoic acid (9,10-epoxystearic acid) carrying an additional hydroxy substituent at position 17. Its functional parent is 9,10-epoxyoctadecanoic acid . It is a conjugate acid of 9,10-epoxy-17-hydroxyoctadecanoate . It is also related to or classified as hydroxyoctadecanoic acid , epoxy fatty acid , (omega-1)-hydroxy fatty acid .
The molecule CC(=O)N[C@@H](CCP(=O)(C)[O-])C(=O)[O-] is an N-acetylphosphinatothricinate(2-) obtained by deprotonation of carboxylic acid and phosphinate functions of N-acetyl-L-phosphinothricin; major species at pH 7.3. It is a conjugate base of a N-acetyl-L-phosphinothricin.
The molecule CCS(=O)(=O)N1CC2(C1)[C@@H]([C@H](N2CC3=CC=C(C=C3)F)CO)C4=CC=CC=C4 CCS(=O)(=O)N1CC2(C1)[C@@H]([C@H](N2CC3=CC=C(C=C3)F)CO)C4=CC=CC=C4 is [(2S,3R)-6-ethylsulfonyl-1-[(4-fluorophenyl)methyl]-3-phenyl-1,6-diazaspiro[3.3]heptan-2-yl]methanol. It is also related to or classified as benzenes , ring assembly , azetidines .
The molecule [H][C@]12[C@@H](O)C[C@H](C)[C@H](O)[C@@]1(C)Oc1cccc(O)c1C2=O [H][C@]12[C@@H](O)C[C@H](C)[C@H](O)[C@@]1(C)Oc1cccc(O)c1C2=O is A member of the class of xanthones that is 1,2,3,4,4a,9a-hexahydro-9H-xanthen-9-one substituted by hydroxy groups at positions 1, 4 and 8 and methyl groups at positions 3 and 4a (the 1S,3S,4S,4aS,9aS stereoisomer). Isolated from the marine algicolous fungus Monodictys putredinis, it exhibits antineoplastic activity. It has the role of metabolite . It has the role of antineoplastic agent . It is also related to or classified as phenols  . It is also related to or classified as secondary alcohol  . It is also related to or classified as xanthones .
The molecule CCOP(O)(=O)OP(O)(=O)OP(O)(=O)OC[C@@H]1CC[C@@H](O1)n1cc(C)c(=O)[nH]c1=O CCOP(O)(=O)OP(O)(=O)OP(O)(=O)OC[C@@H]1CC[C@@H](O1)n1cc(C)c(=O)[nH]c1=O is an organic triphosphate formed by condensation between the gamma-phospho group of 3'-deoxythymidine 5'-triphosphate and ethanol. Its functional parent is ethanol . Its functional parent is ddTTP . It is also related to or classified as organic triphosphate .
The molecule [H][C@]12C[C@@H]3O[C@@]1(C)C[C@@]1(C2)C=CC(=O)[C@@](C)(CCC(=O)NC2=C(O)C(=CC=C2O)C(O)=O)[C@]31[H] [H][C@]12C[C@@H]3O[C@@]1(C)C[C@@]1(C2)C=CC(=O)[C@@](C)(CCC(=O)NC2=C(O)C(=CC=C2O)C(O)=O)[C@]31[H] is A  monocarboxylic acid amide  obtained by the formal condensation of the amino group of 3-amino-2,4-dihydroxybenzoic acid with the carboxy group of the oxatetracyclic   cage component. It is an antibiotic isolated from Streptomyces platensis and exhibits inhibitory activity against  fatty acid synthase. It has the role of antimicrobial agent . It has the role of antibacterial agent . It has the role of EC 2.3.1.85 (fatty acid synthase) inhibitor . It has the role of bacterial metabolite . It is a conjugate acid of platensimycin(1-) .  It is also related to or classified as monocarboxylic acid amide  . It is also related to or classified as dihydroxybenzoic acid , polycyclic cage , cyclic ether , cyclic ketone , aromatic amide .
The molecule CC1(CC(=C2C(=NC3=C(N=CN=C3S2)N(C)C)C1)NCCCC(=O)O)C CC1(CC(=C2C(=NC3=C(N=CN=C3S2)N(C)C)C1)NCCCC(=O)O)C is 4-[[4-(dimethylamino)-7,7-dimethyl-6,8-dihydropyrimido[4,5-b][1,4]benzothiazin-9-yl]amino]butanoic acid. Its functional parent is gamma-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .
The molecule C[Se]C[C@@H](C(=O)O)N is an L-alpha-amino acid compound having methylselanylmethyl as the side-chain. It has a role as an antineoplastic agent. It is a Se-methylselenocysteine, a non-proteinogenic L-alpha-amino acid and a L-selenocysteine derivative. It is a conjugate base of a Se-methyl-L-selenocysteinium. It is a conjugate acid of a Se-methyl-L-selenocysteinate. It is an enantiomer of a Se-methyl-D-selenocysteine. It is a tautomer of a Se-methyl-L-selenocysteine zwitterion.
The molecule [C@H]1(CCCCCCCC(=O)O)[C@@H](CCCCCCCC)O1 [C@H]1(CCCCCCCC(=O)O)[C@@H](CCCCCCCC)O1 is A 9,10-epoxyoctadecanoic acid in which the chiral centres at positions 9 and 10 have S- and R-configuration respectively. It is a conjugate acid of (9S,10R)-epoxyoctadecanoate . It is also related to or classified as cis-9,10-epoxyoctadecanoic acid .
The molecule C1COCCN1CC(=O)N2CC3(C2)[C@H]([C@H](N3CC4=CC=C(C=C4)F)CO)C5=CC=CC=C5 C1COCCN1CC(=O)N2CC3(C2)[C@H]([C@H](N3CC4=CC=C(C=C4)F)CO)C5=CC=CC=C5 is 1-[(2S,3S)-1-[(4-fluorophenyl)methyl]-2-(hydroxymethyl)-3-phenyl-1,6-diazaspiro[3.3]heptan-6-yl]-2-(4-morpholinyl)ethanone. It is also related to or classified as benzenes , ring assembly , azetidines .
The molecule C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)O)O[C@@H]4[C@H]([C@@H](O[C@@H]([C@@H]4O)CO)O[C@@H]5[C@H](O[C@H]([C@@H]([C@H]5O)O)O)CO)NC(=O)C)CO)O)O)O is a branched amino pentasaccharide consisting of two D-glucose residues (one at the reducing end), one N-acetyl-D-glucosamine residue, one D-galactose residue and one L-fucose residue, linked as shown.
The molecule O1C(C(O)CC=2C1=CC(O)=CC2O)C3=CC(OC)=CC=C3 O1C(C(O)CC=2C1=CC(O)=CC2O)C3=CC(OC)=CC=C3 is 2-(3-methoxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,5,7-triol. It is also related to or classified as ether  . It is also related to or classified as flavonoids .
The molecule CCCCC[C@H](O)\C=C\[C@H]1[C@H]2C[C@H](OO2)[C@@H]1C\C=C/CCCC([O-])=O CCCCC[C@H](O)\C=C\[C@H]1[C@H]2C[C@H](OO2)[C@@H]1C\C=C/CCCC([O-])=O is conjugate base of prostaglandin H2. It has the role of human metabolite . It is also related to or classified as prostaglandin carboxylic acid anion , oxylipin anion .
The molecule [H][C@]1(OC(=O)C[C@@H]1C)[C@@]1(C)CC(=O)c2c(O1)ccc(c2O)-c1c(C)cc2O[C@@](C)(CC(=O)c2c1O)[C@]1([H])OC(=O)C[C@H]1O [H][C@]1(OC(=O)C[C@@H]1C)[C@@]1(C)CC(=O)c2c(O1)ccc(c2O)-c1c(C)cc2O[C@@](C)(CC(=O)c2c1O)[C@]1([H])OC(=O)C[C@H]1O is A  chromanone isolated from the marine derived fungus Monodictys putredinis and exhibits inhibitory activity against P450. It has the role of metabolite . It has the role of antineoplastic agent . It has the role of P450 inhibitor . It is also related to or classified as secondary alcohol  . It is also related to or classified as gamma-lactone  . It is also related to or classified as chromanone .
The molecule CCCCCCCCCCCCCCCC([C@@H]([NH3+])CS(=O)(=O)[O-])O CCCCCCCCCCCCCCCC([C@@H]([NH3+])CS(=O)(=O)[O-])O is major microspecies at pH 7.3. It is also related to or classified as fatty amide .
The molecule CCOP(O)(=O)OP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H](C[C@@H]1O)n1cc(C)c(=O)[nH]c1=O CCOP(O)(=O)OP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H](C[C@@H]1O)n1cc(C)c(=O)[nH]c1=O is an organic triphosphate formed by condensation between the gamma-phospho group of thymidine 5'-triphosphate and ethanol. Its functional parent is ethanol . Its functional parent is dTTP . It is also related to or classified as organic triphosphate .
The molecule CC1=C[C@@H](OC1=O)O/C=C/2\\[C@H]3CC4=C([C@H]3OC2=O)C(CC[C@@H]4O)(C)C is a strigolactone in which the tricyclic lactone moiety bears a hydroxy substitutuent at the position para to the gem-dimethyl group. It is a strigolactone, a secondary alcohol and an indenofuran.
The molecule CC(C)CNO is a member of the class of hydroxylamines resulting from the replacement of one of the hydrogens attached to the amino group of 2-methylpropanamine by a hydroxy group. It has a role as a bacterial metabolite. It derives from a hydroxylamine and a 2-methylpropanamine.
The molecule 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 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 is tetranion of propionyl-CoA arising from deprotonation of phosphate and diphosphate functions. It has the role of Saccharomyces cerevisiae metabolite . It has the role of human metabolite . It is also related to or classified as short chain fatty acyl-CoA(4-)  . It is also related to or classified as acyl-CoA(4-)  .
The molecule ClC=1NC(/C(/O)=C/C(=O)C(CC(CC(C=2SCC(N2)(C(=O)O)C)C)C)C)=C(C1Cl)Cl ClC=1NC(/C(/O)=C/C(=O)C(CC(CC(C=2SCC(N2)(C(=O)O)C)C)C)C)=C(C1Cl)Cl is Thiazohalostatin. Its functional parent is alpha-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .
The molecule [C@@H]1(CCCCCCCC(=O)O)[C@H](CCCCCCCC)O1 [C@@H]1(CCCCCCCC(=O)O)[C@H](CCCCCCCC)O1 is A 9,10-epoxyoctadecanoic acid in which the chiral centres at positions 9 and 10 have R- and S-configuration respectively. It is a conjugate acid of (9R,10S)-9,10-epoxyoctadecanoate . It is also related to or classified as cis-9,10-epoxyoctadecanoic acid .
The molecule C1=CC(=CC=C1CC(=O)O[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2OCCC3=CC(=C(C=C3)O)O)CO)O)O)O is a beta-D-glucoside with 2-(3,4-dihydroxyphenyl)ethoxy residue at the anomeric position and a [(4-hydroxyphenyl)acetyl]oxy residue at position 2. Isolated from Ternstroemia japonica, it exhibits antioxidant activity. It has a role as a metabolite and an antioxidant. It is a beta-D-glucoside, a member of catechols, a monosaccharide derivative, a phenylethanoid and a carboxylic ester.
The molecule [H][C@]1(OC(=O)C[C@@H]1C)[C@@]1(C)CC(=O)c2c(O1)ccc(c2O)-c1c(C)cc(O)c2C(=O)C[C@](C)(Oc12)[C@]1([H])OC(=O)C[C@H]1O [H][C@]1(OC(=O)C[C@@H]1C)[C@@]1(C)CC(=O)c2c(O1)ccc(c2O)-c1c(C)cc(O)c2C(=O)C[C@](C)(Oc12)[C@]1([H])OC(=O)C[C@H]1O is A chromanone isolated from the marine derived fungus Monodictys putredinis and exhibits inhibitory activity against P450. It has the role of metabolite . It has the role of antineoplastic agent . It has the role of P450 inhibitor . It is also related to or classified as secondary alcohol  . It is also related to or classified as gamma-lactone  . It is also related to or classified as chromanone .
The molecule CC(=C)CCO CC(=C)CCO is A primary alcohol having the structure of isopentyl alcohol but with a double bond between C-3 and one of the C-4 atoms. It has the role of metabolite . It is also related to or classified as homoallylic alcohol  . It is also related to or classified as primary alcohol  .
The molecule CC1=NC2=C(N1C)C=CC(=C2)NC(=O)C3=CC=C(C=C3)Cl CC1=NC2=C(N1C)C=CC(=C2)NC(=O)C3=CC=C(C=C3)Cl is 4-chloro-N-(1,2-dimethyl-5-benzimidazolyl)benzamide. It is also related to or classified as organohalogen compound  . It is also related to or classified as carbonyl compound .
The molecule CC(C(=O)O)N is an alpha-amino acid that consists of propionic acid bearing an amino substituent at position 2. It has a role as a fundamental metabolite. It derives from a propionic acid. It is a conjugate base of an alaninium. It is a conjugate acid of an alaninate. It is a tautomer of an alanine zwitterion.
The molecule CCCCCCCCC1OC1CCCCCCCC([O-])=O CCCCCCCCC1OC1CCCCCCCC([O-])=O is an epoxystearate resulting from the deprotonation of the carboxy group of 9,10-epoxyoctadecanoic acid (i.e. conjugate base of 9,10-epoxyoctadecanoic acid); the major species at pH 7.3. Its functional parent is 1-stearoyl-2-(9,10-epoxyoctadecanoyl)-sn-glycero-3-phospho-L-serine(1-) . Its functional parent is 1-palmitoyl-2-(9,10-epoxyoctadecanoyl)-sn-glycero-3-phospho-L-serine(1-) . It is also related to or classified as epoxyoctadecanoate  .
The molecule CCCCCCCCCCCCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCC/C=C\\CCCCCCCC is a 1,2-diglyceride with stearoyl and oleoyl as the acyl groups. It derives from an oleic acid and an octadecanoic acid.
The molecule O[C@H]1[C@@H](O[C@@H]([C@@H](O)[C@@H]1O)C(O)=O)Oc1c(oc2cc(O)cc(O)c2c1=O)-c1ccc(O)c(O)c1 O[C@H]1[C@@H](O[C@@H]([C@@H](O)[C@@H]1O)C(O)=O)Oc1c(oc2cc(O)cc(O)c2c1=O)-c1ccc(O)c(O)c1 is A quercetin O-glycoside that consists of quercetin attached to a beta-D-glucuronopyranosyl moiety at position 3 via a glycosidic linkage. Isolated from Salvia and Phaseolus vulgaris, it exhibits antioxidant and antidepressant activities. It has the role of antioxidant . It has the role of metabolite . It has the role of antidepressant . It is also related to or classified as beta-D-glucosiduronic acid , quercetin O-glycoside .
The molecule CC(=C)CCOP(O)(=O)OP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc(=O)[nH]c1=O CC(=C)CCOP(O)(=O)OP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc(=O)[nH]c1=O is an organic triphosphate formed by condensation between the gamma-phospho group of uridine 5'-triphosphate and isopentenyl alcohol. Its functional parent is UTP . Its functional parent is isopentenyl alcohol . It is also related to or classified as organic triphosphate .
The molecule O1C(C(O)C(O)C(O)C1OC2=CC=3OC(CC(=O)C3C(OC)=C2)C4=CC=C(O)C=C4)CO O1C(C(O)C(O)C(O)C1OC2=CC=3OC(CC(=O)C3C(OC)=C2)C4=CC=C(O)C=C4)CO is Puddumin A. It is also related to or classified as glycoside  . It is also related to or classified as flavonoids .
The molecule CC(C)[C@@H]1CCC(=C)C=C1 is a beta-phellandrene in which the chiral centre has S configuration. It has a role as a plant metabolite. It is an enantiomer of a (-)-beta-phellandrene.
The molecule N[C@@H](CCC(=O)NNc1ccc(CO)cc1)C(O)=O N[C@@H](CCC(=O)NNc1ccc(CO)cc1)C(O)=O is agaritine.  It is also related to or classified as carbohydrazide  . It is also related to or classified as benzyl alcohols , non-proteinogenic L-alpha-amino acid , L-glutamic acid derivative .
The molecule CN(C)CC(C1=CC=C(C=C1)OC)C2(CCCCC2)O is a tertiary amino compound that is N,N-dimethylethanamine substituted at position 1 by a 1-hydroxycyclohexyl and 4-methoxyphenyl group. It has a role as an antidepressant, a serotonin uptake inhibitor, an adrenergic uptake inhibitor, a dopamine uptake inhibitor, an analgesic, an environmental contaminant and a xenobiotic. It is a member of cyclohexanols, a tertiary alcohol, a tertiary amino compound and a monomethoxybenzene.
The molecule [H][C@@]12CC[C@@]3([H])[C@]4(C)[C@@H](O)C[C@H](O)C(C)(C)[C@@]4([H])C[C@@H](O)[C@]3([C@@H]1O)C(=O)C2=C [H][C@@]12CC[C@@]3([H])[C@]4(C)[C@@H](O)C[C@H](O)C(C)(C)[C@@]4([H])C[C@@H](O)[C@]3([C@@H]1O)C(=O)C2=C is an ent-kaurane diterpenoid isolated from Isodon henryi and has been shown to exhibit cytotoxic activity. It has the role of metabolite . It has the role of antineoplastic agent . It is also related to or classified as secondary alcohol  . It is also related to or classified as bridged compound , ent-kaurane diterpenoid , cyclic ketone , tetracyclic diterpenoid .
The molecule CC(C)=CCOP(O)(=O)OP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc(=O)[nH]c1=O CC(C)=CCOP(O)(=O)OP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc(=O)[nH]c1=O is an organic triphosphate formed by condensation between the gamma-phospho group of uridine 5'-triphosphate and prenol (gamma,gamma-dimethylallyl alcohol). Its functional parent is UTP . Its functional parent is prenol . It is also related to or classified as organic triphosphate .
The molecule CCCCCCCCCC1=CC(OC(=O)C2=C(CCCCCCCCC)C=C(O)C=C2O)=CC(O)=C1C([O-])=O CCCCCCCCCC1=CC(OC(=O)C2=C(CCCCCCCCC)C=C(O)C=C2O)=CC(O)=C1C([O-])=O is A monohydroxybenzoate that is the conjugate base of 4-(2,4-dihydroxy-6-nonylbenzoyloxy)-2-hydroxy-6-nonylbenzoic acid resulting from the deprotonation of the carboxy group; Major microspecies at pH 7.3. It is also related to or classified as monohydroxybenzoate .
The molecule [NH3+][C@H](C)[C@@H]1CC[C@@H]([NH3+])[C@@H](O[C@@H]2[C@@H]([NH3+])C[C@@H]([NH3+])[C@H](O[C@H]3OC[C@@](O)(C)[C@H]([NH2+]C)[C@H]3O)[C@H]2O)O1 [NH3+][C@H](C)[C@@H]1CC[C@@H]([NH3+])[C@@H](O[C@@H]2[C@@H]([NH3+])C[C@@H]([NH3+])[C@H](O[C@H]3OC[C@@](O)(C)[C@H]([NH2+]C)[C@H]3O)[C@H]2O)O1 is major microspecies at pH 7.3. It is a conjugate acid of gentamycin C2 . It is also related to or classified as gentamycin C .
The molecule [NH3+]C(CS)C(O)=O [NH3+]C(CS)C(O)=O is cysteinium. It is a conjugate acid of cysteine . It is a conjugate acid of cysteine zwitterion . It is also related to or classified as alpha-amino-acid cation .
The molecule C[C@@H]1C[C@]2([C@@H](O2)C)C(=O)O[C@@H]3CCN(C/C=C(\\C3=O)/COC(=O)[C@]1(C)OC(=O)C)C is a pyrrolizine alkaloid that is otosenine in which the hydroxy hydrogen has been replaced by an acetyl group. It has a role as a Jacobaea metabolite. It is an enone, a macrocyclic lactone, a pyrrolizine alkaloid, an organic heterobicyclic compound, a spiro-epoxide, a tertiary amino compound and an acetate ester. It derives from an otosenine.
The molecule O=C1OC(CCCCCCCCC)=NC1=CC2=CC=C(O)C=C2 O=C1OC(CCCCCCCCC)=NC1=CC2=CC=C(O)C=C2 is Nonyltyrazolone. Its functional parent is alpha-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .
The molecule [C@@H]1(CCCCCCCC(=O)O)[C@H](CCCCCCCCO)O1 [C@@H]1(CCCCCCCC(=O)O)[C@H](CCCCCCCCO)O1 is A 9,10-epoxy-18-hydroxyoctadecanoic acid in which the chiral centres at positions 9 and 10 have R- and S-configuration respectively. It is a conjugate acid of (9R,10S)-9,10-epoxy-18-hydroxyoctadecanoate . It is also related to or classified as 9,10-epoxy-18-hydroxyoctadecanoic acid  .
The molecule C[C@H]1C(=O)CC[C@@H]2[C@@]1(CC[C@H]3[C@]2(CC[C@@]4([C@@]3(CC[C@@]5([C@H]4C[C@](CC5)(C)CO)C)C)C)C)C is a pentacyclic triterpenoid with formula C30H50O2, originally isolated from Tripterygium hypoglaucum. It has a role as a plant metabolite. It is a pentacyclic triterpenoid, a cyclic terpene ketone and a primary alcohol. It derives from a hydride of a friedelane.
The molecule CC1=CC=C(C=C1)CNC(=O)C2=CC(=C3C=C(C=C(C3=O)C)C)NN2 CC1=CC=C(C=C1)CNC(=O)C2=CC(=C3C=C(C=C(C3=O)C)C)NN2 is 5-(3,5-dimethyl-6-oxo-1-cyclohexa-2,4-dienylidene)-N-[(4-methylphenyl)methyl]-1,2-dihydropyrazole-3-carboxamide. Its functional parent is alpha-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .
The molecule CO[C@@H]1CC(=O)C=CC[C@@]1(O)\C=C/c1ccccc1 CO[C@@H]1CC(=O)C=CC[C@@]1(O)\C=C/c1ccccc1 is A cyclic ketone that is cyclohept-2-en-1-one substituted by a hydroxy group at position 5, a methoxy group at position 6 and a 2-phenylethenyl group at position 5 (the 5R,6R stereoisomers). Isolated from the rootwood of Aeschynomene mimosifolia, it exhibits cytotoxic towards human cancer cell lines. It has the role of metabolite . It is also related to or classified as ether  .  It is also related to or classified as tertiary alcohol  .  It is also related to or classified as enone  . It is also related to or classified as styrenes , cyclic ketone .
The molecule O1C(C=2C=C(OC)C(OC)=C(O)C2)=CC(=O)C=3C1=CC=CC3 O1C(C=2C=C(OC)C(OC)=C(O)C2)=CC(=O)C=3C1=CC=CC3 is 2-(3-hydroxy-4,5-dimethoxyphenyl)-4H-chromen-4-one. It is also related to or classified as ether  . It is also related to or classified as flavonoids .
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(N)nc2=O)[C@H](O)CC1=O C[C@H]1OC(OP([O-])(=O)OP([O-])(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2ccc(N)nc2=O)[C@H](O)CC1=O is A nucleotide-sugar oxoanion arising from deprotonation of the diphosphate OH groups of CDP-4-dehydro-3,6-dideoxy-D-glucose; major species at pH 7.3. It is also related to or classified as nucleotide-sugar oxoanion .
The molecule CC=CCOP(O)(=O)OP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc(=O)[nH]c1=O CC=CCOP(O)(=O)OP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc(=O)[nH]c1=O is an organic triphosphate formed by condensation between the gamma-phospho group of uridine 5'-triphosphate and crotyl alcohol. Its functional parent is UTP . Its functional parent is crotyl alcohol . It is also related to or classified as organic triphosphate .
The molecule O1[C@@H](O[C@H]2[C@H](OC=3C(C2)=C(O)C=C(O)C3)C4=CC(O)=C(O)C=C4)C(O)C(O)[C@H](O)[C@H]1CO O1[C@@H](O[C@H]2[C@H](OC=3C(C2)=C(O)C=C(O)C3)C4=CC(O)=C(O)C=C4)C(O)C(O)[C@H](O)[C@H]1CO is Epicatechin 3-O-beta-D-allopyranoside. It is also related to or classified as glycoside  . It is also related to or classified as flavonoids .
The molecule C(C(=O)O)C(CC(=O)O)(C(=O)[O-])O is a citrate(1-) that is the conjugate acid of 2-(carboxymethyl)-2-hydroxysuccinate. It is a conjugate acid of a 2-(carboxymethyl)-2-hydroxysuccinate. It is a tautomer of a 3,4-dicarboxy-3-hydroxybutanoate.
The molecule [C@H]1(CCCCCCCC(=O)O)[C@@H](CCCCCCCCO)O1 [C@H]1(CCCCCCCC(=O)O)[C@@H](CCCCCCCCO)O1 is A 9,10-epoxy-18-hydroxyoctadecanoic acid in which the chiral centres at positions 9 and 10 have S- and R-configuration respectively. It is a conjugate acid of (9S,10R)-9,10-epoxy-18-hydroxyoctadecanoate . It is also related to or classified as 9,10-epoxy-18-hydroxyoctadecanoic acid  .
The molecule C[C@H](C#CC1=CC=C(C=C1)[C@H]2[C@@H]3CN(CCCCN3[C@@H]2CO)C(=O)NC4=CC=CC=C4)O C[C@H](C#CC1=CC=C(C=C1)[C@H]2[C@@H]3CN(CCCCN3[C@@H]2CO)C(=O)NC4=CC=CC=C4)O is (8R,9S,10S)-9-[4-[(3R)-3-hydroxybut-1-ynyl]phenyl]-10-(hydroxymethyl)-N-phenyl-1,6-diazabicyclo[6.2.0]decane-6-carboxamide. It is also related to or classified as benzenes , ring assembly , azetidines .
The molecule C[C@@]12[C@H](CC[C@@]3([C@@H]1[C@@H]([C@]45[C@H]3CC[C@H](C4)C(=C)C5)C(=O)O)OC2=O)F is a halo-gibberellin that is gibberellin A9 carrying a fluoro substituent at position 3beta (2beta using gibbane skeletal numbering). It derives from a gibberellin A9.
The molecule C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CCC4=C3C=CC(=C4O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)[O-])O)O)O)O is a steroid glucuronide anion that is the conjugate base of estrone 4-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-hydroxyestrone 4-O-(beta-D-glucuronide).