anonymous041/ChEBI-Augmented huggingface dataset:
The molecule C\C(CC[C@@H](O)[C@]1(C)CCC(=O)O1)=C/[C@@H](O)C\C(C)=C\CCCC(=O)CO C\C(CC[C@@H](O)[C@]1(C)CCC(=O)O1)=C/[C@@H](O)C\C(C)=C\CCCC(=O)CO is ircinolin A. It has the role of metabolite . It is also related to or classified as terpene lactone .
The molecule C1C[NH+]([C@@H]1C(=O)[O-])C[C@@H]([C@@H](C(=O)[O-])[NH2+]CC[C@@H](C(=O)[O-])O)O is a tricarboxylic acid anion that is the conjugate base of mugineic acid. Major microspecies at pH 7.3 (according to Marvin v 6.2.0.). It is a conjugate base of a mugineic acid. It is a conjugate acid of a mugineate(2-).
The molecule C\C(C[C@H](O)\C=C(/C)CC[C@@H](O)[C@]1(C)CCC(=O)O1)=C/CCc1ccoc1 C\C(C[C@H](O)\C=C(/C)CC[C@@H](O)[C@]1(C)CCC(=O)O1)=C/CCc1ccoc1 is irciformonin B. It has the role of metabolite . It is also related to or classified as terpene lactone .
The molecule C1[C@@H]([NH+]2C[C@@H](N1)CC23CCC(=O)CC3)CC=4C=CC(=CC4)OC C1[C@@H]([NH+]2C[C@@H](N1)CC23CCC(=O)CC3)CC=4C=CC(=CC4)OC is major species at pH 7.3. It is also related to or classified as tertiary ammonium ion  .
The molecule NN is an azane and a member of hydrazines. It has a role as an EC 4.3.1.10 (serine-sulfate ammonia-lyase) inhibitor. It is a conjugate base of a hydrazinium(1+). It is a conjugate acid of a hydrazinide.
The molecule OC(=O)CC(\N=C/C=C1CC(NC(=C\1)C(O)=O)C(O)=O)C(O)=O OC(=O)CC(\N=C/C=C1CC(NC(=C\1)C(O)=O)C(O)=O)C(O)=O is Miraxanthin-II. Its functional parent is tetracarboxylic acid . It is also related to or classified as organooxygen compound .
The molecule C/C/1=C/2\\[C@@]([C@@H](C(=N2)/C=C\\3/C([C@@H](C(=N3)/C(=C\\4/[C@]([C@H]([C@@H]([N-]4)[C@]5([C@@]([C@@H](C1=N5)CCC(=O)N)(C)CC(=O)N)C)CC(=O)N)(C)CCC(=O)NC[C@@H](C)OP(=O)([O-])[O-])/C)CCC(=O)N)(C)C)CCC(=O)N)(C)CC(=O)N.[CH2-][C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)O.[Co] is an organophosphate oxoanion obtained by deprotonation of the phosphate OH groups of adenosylcobinamide phosphate. It is a conjugate base of an adenosylcobinamide phosphate.
The molecule OC[C@H]1OC(Oc2c(oc3cc(O)cc(O)c3c2=O)-c2cc(O)c(O)c(O)c2)[C@@H](O)[C@@H]1O OC[C@H]1OC(Oc2c(oc3cc(O)cc(O)c3c2=O)-c2cc(O)c(O)c(O)c2)[C@@H](O)[C@@H]1O is A glycosyloxyflavone that is the 3-O-arabinofuranosyl derivative of  myricetin. It has been isolated from Mimosa diplotricha. It has the role of plant metabolite . Its functional parent is myricetin . It is also related to or classified as arabinoside  .  It is also related to or classified as glycosyloxyflavone  . It is also related to or classified as pentahydroxyflavone , monosaccharide derivative .
The molecule COCC(=O)N1[C@H]([C@@H]([C@H]1C#N)C2=CC=C(C=C2)C3=CCCCC3)CO COCC(=O)N1[C@H]([C@@H]([C@H]1C#N)C2=CC=C(C=C2)C3=CCCCC3)CO is (2S,3R,4R)-3-[4-(1-cyclohexenyl)phenyl]-4-(hydroxymethyl)-1-(2-methoxy-1-oxoethyl)-2-azetidinecarbonitrile. It is also related to or classified as benzenes , ring assembly , azetidines .
The molecule N1(C2=C(C(=NC=N2)N)N=C1)[C@@H]3O[C@H](COP([O-])(OC(=O)/C=C/C4=CC=C(C(=C4)OC)O)=O)[C@H]([C@H]3O)O N1(C2=C(C(=NC=N2)N)N=C1)[C@@H]3O[C@H](COP([O-])(OC(=O)/C=C/C4=CC=C(C(=C4)OC)O)=O)[C@H]([C@H]3O)O is trans-feruloyl-AMP(1-). Its functional parent is adenosine 5'-monophosphate . Its functional parent is trans-ferulate . It is also related to or classified as organophosphate oxoanion .
The molecule C=CCCCCCCCCC[N+](=O)[O-] is a nitroalkene that is 1-undecene substituted by a nitro group at position 11. Metabolite observed in cancer metabolism. It has a role as a human metabolite.
The molecule O[C@@H]1CO[C@@H](Oc2c(oc3cc(O)cc(O)c3c2=O)-c2cc(O)c(O)c(O)c2)[C@H](O)[C@H]1O O[C@@H]1CO[C@@H](Oc2c(oc3cc(O)cc(O)c3c2=O)-c2cc(O)c(O)c(O)c2)[C@H](O)[C@H]1O is A xylose derivative that is beta-D-xylose in which the hydrogen of the anomeric hydroxy group is replaced by myricetin. it has been isolated from Mimosa diplotricha. It has the role of plant metabolite . Its functional parent is myricetin .  It is also related to or classified as glycosyloxyflavone  . It is also related to or classified as pentahydroxyflavone , xylose derivative , monosaccharide derivative .
The molecule C12=C(N=CN=C1N3C=C(C4CC3OC=C4C=O)C=O)NC=N2 C12=C(N=CN=C1N3C=C(C4CC3OC=C4C=O)C=O)NC=N2 is A carbonyl adduct of adenine composed of an adenine modified by a malondialdehyde trimer. Its functional parent is adenine . It is also related to or classified as dialdehyde .
The molecule CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O[C@H]2[C@H]([C@H](O[C@H]([C@@H]2O)O[C@@H]3[C@H](OC([C@@H]([C@H]3O)O)O)CO)CO)O)CO)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)O)O is a linear amino pentasaccharide consisting of three galactosyl residues, one N-acetylglucosaminyl residue and one glucosyl residue (at the reducing end), linked as shown. It is an amino pentasaccharide and a glucosamine oligosaccharide.
The molecule OC[C@H]1O[C@H](Oc2c(oc3cc(O)cc(O)c3c2=O)-c2ccc(O)c(O)c2)[C@@H](O)[C@@H]1O OC[C@H]1O[C@H](Oc2c(oc3cc(O)cc(O)c3c2=O)-c2ccc(O)c(O)c2)[C@@H](O)[C@@H]1O is A quercetin O-glycoside that is quercetin attached to a   alpha-D-arabinofuranosyl residue at position 3 via a glycosidic linkage. It has the role of metabolite . It has the role of plant metabolite . It is also related to or classified as tetrahydroxyflavone  . It is also related to or classified as alpha-D-arabinoside  . It is also related to or classified as monosaccharide derivative , quercetin O-glycoside .
The molecule C(=O)([C@H](CCC(NCC)=O)N)O C(=O)([C@H](CCC(NCC)=O)N)O is A N(5)-alkylglutamine where the alkyl group is ethyl. It has been isolated from green tea. It has the role of geroprotector . It has the role of neuroprotective agent . It has the role of plant metabolite . It is also related to or classified as N(5)-alkyl-L-glutamine .
The molecule CC1=CC2=C(C=C1)OC(=O)C=C2 is a member of the class of coumarins that is coumarin in which the hydrogen at position 6 is replaced by a methyl group. It has a role as a fragrance and an allergen.
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 an acyl-CoA(4-) that is the tetraanion of choloyl-CoA, arising from deprotonation of phosphate and diphosphate functions. It has the role of human metabolite . It is also related to or classified as 3alpha-hydroxy bile acid CoA thioester(4-)  . It is also related to or classified as steroidal acyl-CoA(4-)  .
The molecule O[C@@H]1CO[C@@H](Oc2c(oc3cc(O)cc(O)c3c2=O)-c2ccc(O)c(O)c2)[C@H](O)[C@H]1O O[C@@H]1CO[C@@H](Oc2c(oc3cc(O)cc(O)c3c2=O)-c2ccc(O)c(O)c2)[C@H](O)[C@H]1O is A quercetin O-glycoside that is quercetin attached to a beta-D-xylopyranosyl residue at position 3 via a glycosidic linkage. It has been isolated from Mimosa diplotricha. It has the role of plant metabolite . It is also related to or classified as tetrahydroxyflavone  . It is also related to or classified as xylose derivative , quercetin O-glycoside , monosaccharide derivative .
The molecule COC1=C2C(=C(C=C1)O)OC3=C4[C@@H]5C=CO[C@@H]5OC4=CC(=C3C2=O)OC is a sterigmatocystin that is the 11-hydroxy-8-O-methyl derivative of the parent sterigmatocystin. It has a role as a metabolite. It is a member of sterigmatocystins and a cyclic acetal. It derives from a sterigmatocystin.
The molecule CCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC/C=C\\CCCCCCCC)COP(=O)(O)OC[C@H](CO)O is a 1,2-diacyl-sn-glycero-3-phospho-(1'-sn-glycerol) in which the phosphatidyl acyl groups at positions 1 and 2 are specified as oleoyl and lauroyl respectively. It is a 1,2-diacyl-sn-glycero-3-phospho-(1'-sn-glycerol) and a dodecanoate ester. It derives from an oleic acid. It is a conjugate acid of a 1-oleoyl-2-lauroyl-sn-glycero-3-phospho-(1'-sn-glycerol)(1-).
The molecule COC(=O)C1=C(C=CC2=C1C(=O)C1=C(O2)C=C(CO)C=C1O)S(C)=O COC(=O)C1=C(C=CC2=C1C(=O)C1=C(O2)C=C(CO)C=C1O)S(C)=O is A member of the class of xanthones that is 9H-xanthen-9-one substituted by methoxycarbonyl, methylsulfinyl, hydroxymethyl and hydroxy groups at positions 1, 2, 6 and 8, respectively. It is a natural product isolated from the deep-sea-derived fungus Aspergillus sp. SCSIO Ind09F01. It has the role of marine metabolite . It has the role of Aspergillus metabolite . It is also related to or classified as sulfoxide  . It is also related to or classified as methyl ester  . It is also related to or classified as phenols  . It is also related to or classified as xanthones , aromatic ester .
The molecule COc1cc(ccc1O)-c1cc(=O)c2c(OC)cc(O)cc2o1 COc1cc(ccc1O)-c1cc(=O)c2c(OC)cc(O)cc2o1 is A dimethoxyflavone that is the 5,3'-di-O-methyl derivative of luteolin. It has been isolated from Mimosa diplotricha. It has the role of plant metabolite . Its functional parent is luteolin . It is also related to or classified as dimethoxyflavone , dihydroxyflavone .
The molecule CCCCC/C=C\\C/C=C\\C=C\\C=C\\[C@@H]([C@H](CCCC(=O)[O-])O)O is a dihydroxyicosatetraenoate that is the conjugate base of (5S,6S)-dihydroxy-(7E,9E,11Z,14Z)-icosatetraenoic acid arising from deprotonation of the carboxylic acid function; major species at pH 7.3. It is a dihydroxyicosatetraenoate and a leukotriene anion.
The molecule CC=CC1=CC=C(C=C1)[C@H]2[C@H](N([C@H]2CO)CC3CC3)CNS(=O)(=O)C CC=CC1=CC=C(C=C1)[C@H]2[C@H](N([C@H]2CO)CC3CC3)CNS(=O)(=O)C is LSM-38068. It is also related to or classified as benzenes , ring assembly , azetidines .
The molecule COc1cc(O)c2c(c1)oc(cc2=O)-c1cc(OC)c(OC)cc1O COc1cc(O)c2c(c1)oc(cc2=O)-c1cc(OC)c(OC)cc1O is A dihydroxyflavone that is flavone substituted by hydroxy groups at positions 5 and 2' and methoxy groups at positions 7, 4' and 5'. It has been isolated from  Mimosa diplotricha. It has the role of plant metabolite . Its functional parent is flavone . It is also related to or classified as trimethoxyflavone , dihydroxyflavone .
The molecule N1(C2=C(C(=NC=N2)N)N=C1)[C@@H]3O[C@H](COP([O-])(OC(=O)/C=C/C4=CC=C(C(=C4)O)O)=O)[C@H]([C@H]3O)O N1(C2=C(C(=NC=N2)N)N=C1)[C@@H]3O[C@H](COP([O-])(OC(=O)/C=C/C4=CC=C(C(=C4)O)O)=O)[C@H]([C@H]3O)O is trans-caffeoyl-AMP(1-). Its functional parent is adenosine 5'-monophosphate . Its functional parent is trans-caffeate . It is also related to or classified as organophosphate oxoanion .
The molecule CCOCN1C(=C(C(=C1C(F)(F)F)Br)C#N)C2=CC=C(C=C2)Cl is a member of the class of pyrroles that is 4-bromo-1H-pyrrole-3-carbonitrile which is substituted at positions 1, 2 and 5 by ethoxymethyl, p-chlorophenyl and trifluoromethyl groups, respectively. A proinsecticide used for termite control and crop protection against several insects and mite pests. It has a role as a proinsecticide and a proacaricide. It is an organofluorine acaricide, an organochlorine acaricide, an organochlorine insecticide, an organofluorine insecticide, a member of monochlorobenzenes, a nitrile, a member of pyrroles and a hemiaminal ether. It derives from a tralopyril.
The molecule COc1ccc2c(oc(-c3cc(OC)c(OC)cc3O)c(OC)c2=O)c1OC COc1ccc2c(oc(-c3cc(OC)c(OC)cc3O)c(OC)c2=O)c1OC is A pentamethoxyflavone that is flavone substituted by methoxy groups at positions 3, 7, 8, 4' and 5' and a hydroxy group at position 2'. It has been isolated from  Mimosa diplotricha. It has the role of plant metabolite . Its functional parent is flavone . It is also related to or classified as monohydroxyflavone , pentamethoxyflavone .
The molecule C1=CC=C(C=C1)CN is a primary amine compound having benzyl as the N-substituent. It has been isolated from Moringa oleifera (horseradish tree). It has a role as an EC 3.5.5.1 (nitrilase) inhibitor, a plant metabolite and an allergen. It is a primary amine and an aralkylamine. It is a conjugate base of a benzylaminium.
The molecule C1C2(CN1CC3=NC=CS3)[C@@H]([C@H](N2CC4=CN=CC=C4)CO)C5=CC=CC=C5 C1C2(CN1CC3=NC=CS3)[C@@H]([C@H](N2CC4=CN=CC=C4)CO)C5=CC=CC=C5 is [(2S,3R)-3-phenyl-1-(3-pyridinylmethyl)-6-(2-thiazolylmethyl)-1,6-diazaspiro[3.3]heptan-2-yl]methanol. It is also related to or classified as benzenes , ring assembly , azetidines .
The molecule COc1c(O)ccc2c1oc(-c1ccc(O)c(O)c1)c(OC)c2=O COc1c(O)ccc2c1oc(-c1ccc(O)c(O)c1)c(OC)c2=O is A trihydroxyflavone that is flavone substituted by hydroxy groups at positions 7, 3' and 4' and methoxy groups at positions 3 and 8. Isolated from  Mimosa diplotricha, it exhibits cytotoxic activity against human cancer cell lines. It has the role of metabolite . It has the role of antineoplastic agent . Its functional parent is flavone .   It is also related to or classified as catechols  . It is also related to or classified as dimethoxyflavone , trihydroxyflavone .
The molecule C[C@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC3=CC=C(C=C3)F)[C@@H](C)CO)C)CN(C)CC4CCCCC4 C[C@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC3=CC=C(C=C3)F)[C@@H](C)CO)C)CN(C)CC4CCCCC4 is 1-[(3S,9R,10R)-9-[[cyclohexylmethyl(methyl)amino]methyl]-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-(4-fluorophenyl)urea. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule CC(CC(=O)O[C@@H]1[C@H]([C@@H](O[C@H]2[C@@H]1O[C@](OC2)(C)C(=O)[O-])O[C@@H]3[C@H]([C@@H](O[C@H]4[C@H]3O[C@@](OC4)(C)C(=O)[O-])O[C@@H]5[C@H](O[C@H]([C@@H]([C@H]5O)O)O[C@@H]6[C@H](O[C@H]([C@@H]([C@H]6O)O)OC[C@@H]7[C@H]([C@@H]([C@H]([C@H](O7)O)OC(=O)C)O)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O[C@H]9[C@@H]([C@H]([C@@H]([C@H](O9)C(=O)[O-])O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)C(=O)[O-])O)O)O)O)OC(=O)C)O)O)CO)CO)O)O)O is a branched polysaccharide acid oxoanion comprised of an octasaccharide repeating unit consisting of a backbone of two glucose and two glucuronic acid residues, and a side chain of three glucose and one galactose residues. The octasaccharide is modified by two pyruvyl and two non-stoichiometric O-acetyl groups, and one non-stoichiometric hydroxybutanoyl group. Note thet the structure shown and its molfile represent only one of the possible substitution patterns.
The molecule C[C@@H]1CC[C@H]2[C@@H]1[C@@H](OC=C2C)O is a lactol that is (+)-iridodial lactol in which the configuration of the carbon at position 7 is inverted from S to R. It is a lactol and a monoterpenoid.
The molecule COc1cc(cc(OC)c1O)[C@H]1Oc2cc(ccc2O[C@@H]1CO)-c1cc(=O)c2c(O)cc(O)cc2o1 COc1cc(cc(OC)c1O)[C@H]1Oc2cc(ccc2O[C@@H]1CO)-c1cc(=O)c2c(O)cc(O)cc2o1 is A flavonolignan isoalted from Mimosa diplotricha. It has the role of plant metabolite . It is also related to or classified as polyphenol , dimethoxybenzene , benzodioxine , flavonolignan .
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)C1=CCCC=C1 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)C1=CCCC=C1 is tetraanion of cyclohexa-1,5-diene-1-carbonyl-CoA arising from deprotonation of phosphate and diphosphate functions. It is also related to or classified as acyl-CoA(4-)  .
The molecule CCCCCCCCCC(C)C(C(=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 hydroxy fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of 2-hydroxy-3-methyldodecanoic acid. It is a hydroxy fatty acyl-CoA, a medium-chain fatty acyl-CoA and a methyl-branched fatty acyl-CoA. It is a conjugate acid of a 2-hydroxy-3-methyldodecanoyl-CoA(4-).
The molecule C1[C@@H]([NH+]2C[C@@H](N1C)CC23CCC(=O)CC3)CC=4C=CC(=CC4)O C1[C@@H]([NH+]2C[C@@H](N1C)CC23CCC(=O)CC3)CC=4C=CC(=CC4)O is major species at pH 7.3. It is also related to or classified as tertiary ammonium ion  .
The molecule COc1ccc-2c(COc3c-2oc2c(OC)c(OC)ccc2c3=O)c1O COc1ccc-2c(COc3c-2oc2c(OC)c(OC)ccc2c3=O)c1O is A hydroxyhomoflavonoid that is isochromeno[4,3-b]chromen-7(5H)-one substituted by a hydroxy group at position 4 and methoxy groups at positions 3, 10 and 11. It has been isolated from Mimosa diplotricha. It has the role of plant metabolite . It is also related to or classified as aromatic ether , organic heterotetracyclic compound , hydroxy homoflavonoid .
The molecule C([C@@H]1[C@H]([C@@H]([C@H](C(O1)O)NS(=O)(=O)[O-])O)O)O is an organic sulfamate oxoanion resulting from the removal of the proton from the sulfamic acid group of N-sulfo-D-glucosamine. It is a conjugate base of a N-sulfo-D-glucosamine.
The molecule C[C@@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NS(=O)(=O)C3=CC=CC=C3)[C@@H](C)CO)C)CN(C)CC4CCCCC4 C[C@@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NS(=O)(=O)C3=CC=CC=C3)[C@@H](C)CO)C)CN(C)CC4CCCCC4 is N-[(3R,9R,10R)-9-[[cyclohexylmethyl(methyl)amino]methyl]-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]benzenesulfonamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule CCC(=O)O[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(C=CC(=O)C4)C)C is an androstanoid that is (5alpha)-androst-1-en-17beta-yl propanoate substituted by an oxo group at position 3. It is a steroid ester, a 3-oxo-Delta(1) steroid and an androstanoid. It derives from a hydride of a 5alpha-androstane.
The molecule COc1ccc2c(c1)oc(cc2=O)-c1cc(OC)c(OC)cc1O COc1ccc2c(c1)oc(cc2=O)-c1cc(OC)c(OC)cc1O is A monohydroxyflavone that is flavone substituted by a hydroxy group at position 2' and methoxy groups at positions 7, 4' and 5'. It has been isolated from the aerial parts of Mimosa diplotricha. It has the role of metabolite . It has the role of plant metabolite . Its functional parent is flavone . It is also related to or classified as trimethoxyflavone , monohydroxyflavone .
The molecule C1=CC(=C(C=C1CC(=O)C(=O)O)I)O is a phenylpyruvic acid derivative having an iodo substituent at the 3-position and a hydroxy substituent at positions 4. It derives from a pyruvic acid. It is a conjugate acid of a 4-hydroxy-3-iodophenylpyruvate.
The molecule CC1=CC[C@@H](C([C@@H]1CC/C(=C/CC/C=C(\\C)/CC/C=C(\\C)/CCC=C(C)C)/C)(C)C)O is a triterpenoid that is 4,6,6-trimethylcyclohex-3-en-1-ol which is substituted at position 5 by a (3E,7E,11E)-3,8,12,16-tetramethylheptadeca-3,7,11,15-tetraen-1-yl group, originally isolated from the nonsaponifiable lipids of sasanqua oil (Camellia sasanqua). It is a triterpenoid, a monocyclic compound and a secondary alcohol.
The molecule C[NH2+]CCCC[NH3+] is dication of N-methylputrescine arising from protonation of both amino groups; major species at pH 7.3. It has a role as a human metabolite. It is an ammonium ion derivative and an organic cation. It is a conjugate acid of a N-methylputrescine.
The molecule COc1ccc(cc1O)-c1oc2c(OC)c(OC)ccc2c(=O)c1OC COc1ccc(cc1O)-c1oc2c(OC)c(OC)ccc2c(=O)c1OC is A tetramethoxyflavone that is flavone substituted by methoxy groups at positions 3, 7, 8 and 4' and a hydroxy group at position 3'. Isolated from the aerial parts of Mimosa diplotricha, it exhibits antiproliferative activity. It has the role of antineoplastic agent . It has the role of plant metabolite . Its functional parent is flavone . It is also related to or classified as monohydroxyflavone , tetramethoxyflavone .
The molecule CCCCCCCCCCCCCCCCCCCCCCC(C(CCCCCCCCCCCCCCCCCC1CC1CCCCCCCCCCCCCCCCC(C(C)CCCCCCCCCCCCCCCCCC)OC)O)C(=O)O is a mycolic acid produced by Mycobacterium tuberculosis. Its structure is that of tetracosanoic acid substituted at position 2 by a 1-hydroxy-18-[2-(17-methoxy-18-methylhexatriacontyl)cyclopropyl]octadecyl group. It has a role as an epitope and a bacterial metabolite. It is a mycolic acid and an ultra-long-chain fatty acid. It is a conjugate base of a methoxy mycolate.
The molecule C[C@]12CC[C@@H](CC1=CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC=C4C5=CN=CC=C5)C)O is a 3beta-sterol that is androsta-5,16-dien-3beta-ol substituted at position 17 by a 3-pyridyl group. Administered as the O-acetate, it is used for treatment of metastatic castrate-resistant prostate cancer. It has a role as an antineoplastic agent and an EC 1.14.99.9 (steroid 17alpha-monooxygenase) inhibitor. It is a 3beta-sterol and a member of pyridines. It derives from a hydride of an androstane.
The molecule COc1cc(O)c(cc1O)-c1oc2c(OC)c(OC)ccc2c(=O)c1OC COc1cc(O)c(cc1O)-c1oc2c(OC)c(OC)ccc2c(=O)c1OC is A dihydroxyflavone that is flavone substituted by hydroxy groups at positions 2' and 5' and methoxy groups at positions 3, 7, 8 and 4'. It has been isolated from the aerial parts of Mimosa diplotricha. It has the role of plant metabolite . Its functional parent is flavone . It is also related to or classified as dihydroxyflavone , tetramethoxyflavone .
The molecule C(=O)(N)NC(=O)NC(=O)[O-] is an organic anion resulting from the deprotonation of the carbamic acid group of 1-carboxybiuret. It is a conjugate base of a 1-carboxybiuret.
The molecule CC(C)C[C@H]1COCC2=CN(CC[C@H](C(=O)N1)CC3=CC=CC=C3)N=N2 CC(C)C[C@H]1COCC2=CN(CC[C@H](C(=O)N1)CC3=CC=CC=C3)N=N2 is (4R,7S)-7-(2-methylpropyl)-4-(phenylmethyl)-9-oxa-1,6,12,13-tetrazabicyclo[9.2.1]tetradeca-11(14),12-dien-5-one. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule CC(=O)c1ccc(O)c(O)c1 CC(=O)c1ccc(O)c(O)c1 is 3,4-dihydroxyacetophenone. It has the role of metabolite . It is also related to or classified as acetophenones .
The molecule CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O[C@@H]1[C@@H]([C@@H]([C@H]([C@@H]([C@H]1O)OP(=O)(O)O)O)O)O)OC(=O)CCCCCCC/C=C\\C/C=C\\CCCCC is a 1-phosphatidyl-1D-myo-inositol 5-phosphate in which the phosphatidyl acyl groups at positions 1 and 2 are specified as stearoyl and linoleoyl respectively. It derives from a linoleic acid and an octadecanoic acid. It is a conjugate acid of a 1-stearoyl-2-linoleoyl-sn-glycero-3-phospho-1D-myo-inositol 5-phosphate(3-).
The molecule CCCCCCCCCCCCCCCC(=O)OC/C=C(\\C)/C=C/C=C(\\C)/C=C/C1=C(CCCC1(C)C)C is an all-trans-retinyl ester obtained by formal condensation of the carboxy group of palmitic (hexadecanoic acid) with the hydroxy group of all-trans-retinol. It is a retinyl palmitate and an all-trans-retinyl ester. It derives from an all-trans-retinol.
The molecule Cn1ccc(=O)[nH]c1=O Cn1ccc(=O)[nH]c1=O is A pyrimidone that is uracil with a methyl group substituent at position 1. It has the role of metabolite . Its functional parent is uracil . It is also related to or classified as pyrimidone , nucleobase analogue .
The molecule C[C@H]([C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H]2CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]3C[C@H](CN3C(=O)[C@@H](NC(=O)[C@@H]4CSSC[C@@H](C(=O)N[C@H](C(=O)N5C[C@@H](C[C@H]5C(=O)N1)O)CO)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H]6C[C@H](CN6C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CSSC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N4)CO)CCCNC(=N)N)NC2=O)N)CCCCN)CO)O)CO)CO)CC(=O)N)O)CC7=CC=C(C=C7)O)[C@@H](C)O)CCCCN)CCCNC(=N)N)C(=O)N[C@@H](CC8=CC=C(C=C8)O)C(=O)N)CC(=O)N)CC9=CC=C(C=C9)O)CO)O is a heterodetic cyclic polypeptide consisting of the linear sequence Cys-Lys-Ser-Hyp-Gly-Ser-Ser-Cys-Ser-Hyp-Thr-Ser-Tyr-Asn-Cys-Cys-Arg-Ser-Cys-Asn-Hyp-Tyr-Thr-Lys-Arg-Cys-Tyr-NH2 with three disulfide bridges between cysteine residues 1-16, 8-19 and 15-26. Isolated from the venom of the fish-hunting snail Conus geographus. It has a role as a venom, a neurotoxin, a calcium channel blocker and a marine metabolite. It is a polypeptide, a heterodetic cyclic peptide, an organic disulfide and a peptidyl amide.
The molecule O=C1CCC2(CC1)CC3NCC(CC4=CC=C(O)C=C4)[NH+]2C3 O=C1CCC2(CC1)CC3NCC(CC4=CC=C(O)C=C4)[NH+]2C3 is major species at pH 7.3. It is also related to or classified as secondary ammonium ion  .
The molecule OCc1ccc(o1)-c1nccc2c3ccccc3[nH]c12 OCc1ccc(o1)-c1nccc2c3ccccc3[nH]c12 is perlolyrine. It has the role of metabolite . It is also related to or classified as organic molecular entity .