anonymous041/ChEBI-Augmented huggingface dataset:
The molecule [H][C@@]12C[C@@H](C)\C=C/C(=O)[C@@](C)(O)[C@H](OC(=O)CC(C)C)[C@@H](O)[C@@]1([H])C(=C)C(=O)O2 [H][C@@]12C[C@@H](C)\C=C/C(=O)[C@@](C)(O)[C@H](OC(=O)CC(C)C)[C@@H](O)[C@@]1([H])C(=C)C(=O)O2 is A germacranolide isolated from Neurolaena lobata and Austroeupatorium inulifolium and has been shown to exhibit antimalarial activity. It has the role of metabolite . It has the role of antimalarial . Its functional parent is isovaleric acid . It is also related to or classified as tertiary alpha-hydroxy ketone  . It is also related to or classified as fatty acid ester  . It is also related to or classified as enone  . It is also related to or classified as germacranolide .
The molecule CC/C=C\\C/C=C\\C[C@@H](/C=C/CCCCCCC(=O)[O-])OO is the monocarboxylic acid anion obtained by removal of a proton from the carboxylic acid group of (8E,10S,12Z,15Z)-10-hydroperoxyoctadeca-8,12,15-trienoic acid. It is a conjugate base of an (8E,10S,12Z,15Z)-10-hydroperoxyoctadeca-8,12,15-trienoic acid.
The molecule COc1cc(O)c([C@@H](\C=C\C[C@@H](O)CCc2ccccc2)c2ccc(O)cc2)c(O)c1C(=O)\C=C\c1ccc(O)cc1 COc1cc(O)c([C@@H](\C=C\C[C@@H](O)CCc2ccccc2)c2ccc(O)cc2)c(O)c1C(=O)\C=C\c1ccc(O)cc1 is Calyxin H. It has the role of metabolite . It is also related to or classified as diarylheptanoid .
The molecule CCC(=O)N1[C@H]([C@H](C12CN(C2)C(=O)CN3CCOCC3)C4=CC=CC=C4)CO CCC(=O)N1[C@H]([C@H](C12CN(C2)C(=O)CN3CCOCC3)C4=CC=CC=C4)CO is 1-[(2R,3R)-2-(hydroxymethyl)-6-[2-(4-morpholinyl)-1-oxoethyl]-3-phenyl-1,6-diazaspiro[3.3]heptan-1-yl]-1-propanone. It is also related to or classified as benzenes , ring assembly , azetidines .
The molecule [H][C@@]12C[C@@H](C)\C=C/C(=O)[C@@](C)(O)[C@H](OC(C)=O)[C@@H](OC(=O)CC(C)C)[C@@]1([H])C(=C)C(=O)O2 [H][C@@]12C[C@@H](C)\C=C/C(=O)[C@@](C)(O)[C@H](OC(C)=O)[C@@H](OC(=O)CC(C)C)[C@@]1([H])C(=C)C(=O)O2 is A germacranolide isolated from Neurolaena lobata and Austroeupatorium inulifolium and has been shown to exhibit antimalarial activity. It has the role of metabolite . It has the role of antimalarial . Its functional parent is isovaleric acid . It is also related to or classified as tertiary alpha-hydroxy ketone  . It is also related to or classified as fatty acid ester  . It is also related to or classified as acetate ester  . It is also related to or classified as enone  . It is also related to or classified as germacranolide .
The molecule C1=CC(=CC=C1CCN)OP(=O)(O)O is an aryl phosphate that is tyramine in which the phenolic hydrogen at position 4 has been replaced by a phospho group. It derives from a tyramine.
The molecule COc1cc(O)c([C@H](\C=C\C[C@@H](O)CCc2ccccc2)c2ccc(O)cc2)c(O)c1C(=O)\C=C\c1ccc(O)cc1 COc1cc(O)c([C@H](\C=C\C[C@@H](O)CCc2ccccc2)c2ccc(O)cc2)c(O)c1C(=O)\C=C\c1ccc(O)cc1 is epi-Calyxin H. It has the role of metabolite . It is also related to or classified as diarylheptanoid .
The molecule [H][C@@]12C[C@@H](C)\C=C/C(=O)[C@@](C)(O)C[C@@H](OC(=O)CC(C)C)[C@@]1([H])C(=C)C(=O)O2 [H][C@@]12C[C@@H](C)\C=C/C(=O)[C@@](C)(O)C[C@@H](OC(=O)CC(C)C)[C@@]1([H])C(=C)C(=O)O2 is A germacranolide isolated from Neurolaena lobata and Austroeupatorium inulifolium and has been shown to exhibit antimalarial activity. It has the role of metabolite . It has the role of antimalarial . Its functional parent is isovaleric acid . It is also related to or classified as tertiary alpha-hydroxy ketone  . It is also related to or classified as fatty acid ester  . It is also related to or classified as enone  . It is also related to or classified as germacranolide .
The molecule COC1=C(C=C2C3=C1C4=CC=CC=C4C=C3N(C2=O)OC)O is an organic heterotetracyclic compound that is dibenzo[cd,f]indol-4(5H)-one carrying two methoxy substituents at positions 1 and 5 as well as a hydroxy substituent at position 2. It has a role as a plant metabolite, an antioxidant and an anti-inflammatory agent. It is an organic heterotetracyclic compound, an aromatic ether, a gamma-lactam, a phenol and an alkaloid.
The molecule C[C@@H]1CN(C(=O)C2=C(C=CC(=C2)NC(=O)CCN3CCOCC3)O[C@@H]1CN(C)CC4=CC(=C(C=C4)Cl)Cl)[C@H](C)CO C[C@@H]1CN(C(=O)C2=C(C=CC(=C2)NC(=O)CCN3CCOCC3)O[C@@H]1CN(C)CC4=CC(=C(C=C4)Cl)Cl)[C@H](C)CO is N-[(2S,3R)-2-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-(4-morpholinyl)propanamide. Its functional parent is beta-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .
The molecule COc1cc(O)c([C@H](\C=C\C[C@H](O)CCc2ccccc2)c2ccc(O)cc2)c(O)c1C(=O)\C=C\c1ccc(O)cc1 COc1cc(O)c([C@H](\C=C\C[C@H](O)CCc2ccccc2)c2ccc(O)cc2)c(O)c1C(=O)\C=C\c1ccc(O)cc1 is ent-Calyxin H. It has the role of metabolite . It is also related to or classified as diarylheptanoid .
The molecule [H][C@@]1(CC[C@@]2([H])\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)CCC1=C)[C@H](C)CCC(=O)C(C)(C)O [H][C@@]1(CC[C@@]2([H])\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)CCC1=C)[C@H](C)CCC(=O)C(C)(C)O is 25-hydroxy-24-oxocalciol. It is also related to or classified as tertiary alpha-hydroxy ketone  . It is also related to or classified as hydroxycalciol  . It is also related to or classified as oxocalciol  .
The molecule [H][C@]1(O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O)O[C@H]1[C@H](C)O[C@@]([H])(O[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)O[C@H]2OC(C)(CC\C=C(\C)CCC=C(C)C)C=C)[C@H](O)[C@@H]1O [H][C@]1(O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O)O[C@H]1[C@H](C)O[C@@]([H])(O[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)O[C@H]2OC(C)(CC\C=C(\C)CCC=C(C)C)C=C)[C@H](O)[C@@H]1O is A tetrasaccharide derivative of nerolidol isolated from Eriobotrya japonica, and has been shown to exhibit hypoglycemic activity. It has the role of metabolite . It has the role of hypoglycemic agent . Its functional parent is nerolidol . It is also related to or classified as farnesane sesquiterpenoid , tetrasaccharide derivative .
The molecule CCCCCCCCCCCCCCCCCC(=O)OCCCCCCCCCCCCCCCC is a wax ester obtained by the formal condensation of palmityl alcohol with stearic acid. It is a wax ester and an octadecanoate ester. It derives from a hexadecan-1-ol.
The molecule COc1cc(O)c([C@@H](\C=C\C[C@@H](O)CCc2ccccc2)c2ccc(O)cc2)c(O)c1C(=O)\C=C\c1ccccc1 COc1cc(O)c([C@@H](\C=C\C[C@@H](O)CCc2ccccc2)c2ccc(O)cc2)c(O)c1C(=O)\C=C\c1ccccc1 is Alpinnanin B. It has the role of metabolite . It is also related to or classified as diarylheptanoid .
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)C=C 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)C=C is tetraanion of acryloyl-CoA arising from deprotonation of phosphate and diphosphate functions. It has the role of human metabolite . It is also related to or classified as acyl-CoA(4-)  .
The molecule [H][C@@]12[C@H](Oc3cc(O)cc(c13)[C@]([H])([C@H](c1ccc(O)cc1)c1c(O)cc(O)cc21)[C@@]1([H])[C@H](c2ccc(O)cc2)c2c(O)cc(O)cc2[C@]2([H])[C@H](Oc3cc(O)cc1c23)c1ccc(O)cc1)c1ccc(O)cc1 [H][C@@]12[C@H](Oc3cc(O)cc(c13)[C@]([H])([C@H](c1ccc(O)cc1)c1c(O)cc(O)cc21)[C@@]1([H])[C@H](c2ccc(O)cc2)c2c(O)cc(O)cc2[C@]2([H])[C@H](Oc3cc(O)cc1c23)c1ccc(O)cc1)c1ccc(O)cc1 is A stilbenoid isolated from the stems of Kobresia nepalensis and has been shown to exhibit inhibitory activity against topoisomerase II. It has the role of metabolite . It has the role of EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor . It is also related to or classified as polyphenol , stilbenoid , cyclic ether , organic heterotetracyclic compound .
The molecule C(CCCSSCCCCCCO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)C(=O)O)O)O)O)CCO[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)C(=O)O)O)O)O is an oligosaccharide derivative consisting of two alpha-D-galacturonosyloxy monosaccharide units linked via a dithiodihexyl divalent group. One of a panel of synthetic oligosaccharide derivatives designed to reveal a critical role of the rare aminosugar 2-acetamido-4-amino-2,4-dideoxy-D-fucose (2-acetamido-4-amino-2,4,6-trideoxy-D-galactose; D-AAT) for serotype 1 immune recognition (PMID:29632881). It is an oligosaccharide derivative and an organic disulfide.
The molecule COc1cc(O)c([C@H](\C=C\C[C@@H](O)CCc2ccccc2)c2ccc(O)cc2)c(O)c1C(=O)\C=C\c1ccccc1 COc1cc(O)c([C@H](\C=C\C[C@@H](O)CCc2ccccc2)c2ccc(O)cc2)c(O)c1C(=O)\C=C\c1ccccc1 is ent-Alpinnanin A. It has the role of metabolite . It is also related to or classified as diarylheptanoid .
The molecule Oc1ccc(cc1)[C@H]1O[C@H]([C@@H]([C@@H]1c1cc(O)cc(O)c1)c1cc2[C@H]([C@@H](Oc2cc1O)c1ccc(O)cc1)c1cc2[C@H]([C@@H](Oc2cc1O)c1ccc(O)cc1)c1cc(O)cc(O)c1)c1ccc(O)cc1 Oc1ccc(cc1)[C@H]1O[C@H]([C@@H]([C@@H]1c1cc(O)cc(O)c1)c1cc2[C@H]([C@@H](Oc2cc1O)c1ccc(O)cc1)c1cc2[C@H]([C@@H](Oc2cc1O)c1ccc(O)cc1)c1cc(O)cc(O)c1)c1ccc(O)cc1 is A stilbenoid isolated from the stems of Kobresia nepalensis and has been shown to exhibit inhibitory activity against topoisomerase II. It has the role of metabolite . It has the role of EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor . It is also related to or classified as polyphenol , stilbenoid , 1-benzofurans .
The molecule CCCCC(CC)CCC(CC(C)C)OS(=O)(=O)[O-].[Na+] is an organic sodium salt having tetradecyl sulfate as the counterion. Used in the treatment of small uncomplicated varicose veins of the lower extremities that show simple dilation with competent valves. It has a role as a detergent and a sclerotherapy agent. It contains a tetradecyl sulfate.
The molecule COc1cc(O)c([C@H](\C=C\C[C@H](O)CCc2ccccc2)c2ccc(O)cc2)c(O)c1C(=O)\C=C\c1ccccc1 COc1cc(O)c([C@H](\C=C\C[C@H](O)CCc2ccccc2)c2ccc(O)cc2)c(O)c1C(=O)\C=C\c1ccccc1 is ent-Alpinnanin B. It has the role of metabolite . It is also related to or classified as diarylheptanoid .
The molecule C[C@H](C#CC1=CC=C(C=C1)[C@@H]2[C@H]3CN(CCCCN3[C@H]2CO)C(=O)C4=CC5=C(C=C4)OCO5)O C[C@H](C#CC1=CC=C(C=C1)[C@@H]2[C@H]3CN(CCCCN3[C@H]2CO)C(=O)C4=CC5=C(C=C4)OCO5)O is 1,3-benzodioxol-5-yl-[(8S,9R,10R)-9-[4-[(3R)-3-hydroxybut-1-ynyl]phenyl]-10-(hydroxymethyl)-1,6-diazabicyclo[6.2.0]decan-6-yl]methanone. It is also related to or classified as benzenes , ring assembly , azetidines .
The molecule S=C1NC(N)=C(F)C=N1 S=C1NC(N)=C(F)C=N1 is 5-fluoro-2-thiocytosine. It is also related to or classified as organohalogen compound  . It is also related to or classified as pyrimidines .
The molecule Oc1ccc(cc1)[C@H]1O[C@@H]([C@@H]([C@@H]1c1cc(O)cc(O)c1)c1cc2[C@H]([C@@H](Oc2cc1O)c1ccc(O)cc1)c1cc(O)cc(O)c1)c1ccc(O)cc1 Oc1ccc(cc1)[C@H]1O[C@@H]([C@@H]([C@@H]1c1cc(O)cc(O)c1)c1cc2[C@H]([C@@H](Oc2cc1O)c1ccc(O)cc1)c1cc(O)cc(O)c1)c1ccc(O)cc1 is A stilbenoid isolated from the stems of  Kobresia nepalensis and has been shown to exhibit inhibitory activity against topoisomerase II. It has the role of metabolite . It has the role of EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor . It is also related to or classified as polyphenol , stilbenoid , 1-benzofurans .
The molecule COC1=CC(=CC(=C1O)OC)[C@H]2[C@@H]3[C@H](COC3=O)[C@@H](C4=CC5=C(C=C24)OCO5)O is an organic heterotetracyclic compound that is the 9- epimer of 4'-demethylpodophyllotoxin. It has a role as an antineoplastic agent. It is a furonaphthodioxole, an organic heterotetracyclic compound and a member of phenols.
The molecule COc1cc(O)c([C@@H](\C=C\C[C@H](O)CCc2ccc(O)cc2)c2ccc(O)cc2)c(O)c1C(=O)\C=C\c1ccccc1 COc1cc(O)c([C@@H](\C=C\C[C@H](O)CCc2ccc(O)cc2)c2ccc(O)cc2)c(O)c1C(=O)\C=C\c1ccccc1 is 7-epi-Katsumain C. It has the role of metabolite . It is also related to or classified as diarylheptanoid .
The molecule C[C@H]1C(=O)N(CC[C@H]2CC[C@H]([C@H](O2)COC3=C(C=C(C=C3)C#N)C(=O)N1C)OC)C C[C@H]1C(=O)N(CC[C@H]2CC[C@H]([C@H](O2)COC3=C(C=C(C=C3)C#N)C(=O)N1C)OC)C is LSM-37948. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule O1[C@@H]([C@@H](O)C(OC(=O)/C=C/C2=CC=C(O)C=C2)C(O)[C@@H]1OC3=C(OC=4C(C3=O)=C(O)C=C(O)C4)C5=CC(O)=C(O)C=C5)COC(=O)/C=C/C6=CC=C(O)C=C6 O1[C@@H]([C@@H](O)C(OC(=O)/C=C/C2=CC=C(O)C=C2)C(O)[C@@H]1OC3=C(OC=4C(C3=O)=C(O)C=C(O)C4)C5=CC(O)=C(O)C=C5)COC(=O)/C=C/C6=CC=C(O)C=C6 is Quercetin 3-(3'',6''-di-p-coumarylglucoside). It is also related to or classified as glycoside  . It is also related to or classified as flavonoid  .
The molecule Oc1cc(Cl)c(Cl)c(Cl)c1-n1cc(Cl)c(Cl)c1Cl Oc1cc(Cl)c(Cl)c(Cl)c1-n1cc(Cl)c(Cl)c1Cl is A member of the class of trichlorophenols that is 3,4,5-trichlorophenol substituted by a 2,3,4-trichloro-1H-pyrrolyl moiety at position 2. It is isolated from the fermentation broth of Streptomyces and exbits broad-spectrum antibacterial activity against a panel of pathogens including variety of drug-susceptible and drug-resistant phenotypes. It has the role of metabolite . It has the role of antimicrobial agent . It has the role of antibacterial agent . It is also related to or classified as trichlorophenols , pyrroles .
The molecule C(CCN)CC(C(=O)O)N is a diamino acid that is caproic (hexanoic) acid bearing two amino substituents at positions 2 and 6. It has a role as a Daphnia magna metabolite. It is an alpha-amino acid, a diamino acid and a polar amino acid. It contains a 4-aminobutyl group. It derives from a hexanoic acid. It is a conjugate base of a lysinium(1+). It is a conjugate acid of a lysinate.
The molecule COc1cc(O)c([C@H](\C=C\C[C@H](O)CCc2ccc(O)cc2)c2ccc(O)cc2)c(O)c1C(=O)\C=C\c1ccccc1 COc1cc(O)c([C@H](\C=C\C[C@H](O)CCc2ccc(O)cc2)c2ccc(O)cc2)c(O)c1C(=O)\C=C\c1ccccc1 is Katsumain C. It has the role of metabolite . It is also related to or classified as diarylheptanoid .
The molecule [H][C@]1([C@@H](CO)C(CO)=Cc2cc(OC)c(O)cc12)c1ccc(O)c(OC)c1 [H][C@]1([C@@H](CO)C(CO)=Cc2cc(OC)c(O)cc12)c1ccc(O)c(OC)c1 is A lignan that consists of 7,8-dihydronaphthalen-2-ol substituted by a 4-hydroxy-3-methoxyphenyl group at position 8, hydroxymethyl groups at positions 6 and 7 and a methoxy group at position 3 (the 7R,8S stereoisomer). Isolated from Vitex negundo, it exhibits inhibitory activity against lipoxygenase. It has the role of lipoxygenase inhibitor . It has the role of plant metabolite . It is also related to or classified as guaiacols  . It is also related to or classified as primary alcohol  . It is also related to or classified as lignan  . It is also related to or classified as polyphenol .
The molecule CCCCC/C=C\\C/C=C\\C/C=C\\CCCCCCC(=O)O is an icosatrienoic acid having three cis double bonds at positions 8, 11 and 14. It has a role as a nutraceutical, a human metabolite and a fungal metabolite. It is a fatty acid 20:3 and a long-chain fatty acid. It is a conjugate acid of an all-cis-icosa-8,11,14-trienoate.
The molecule O[C@@H](CCc1ccc(O)cc1)C[C@H](O)\C=C\c1ccccc1 O[C@@H](CCc1ccc(O)cc1)C[C@H](O)\C=C\c1ccccc1 is (3S,5S)-Alpinikatin. It has the role of metabolite . It is also related to or classified as diarylheptanoid .
The molecule O(C1C(O)C(O)C(OC1OC2=C(OC=3C(C2=O)=C(O)C=C(OC4OC(C(O)C(O)C4O)C(O)=O)C3)C5=CC(O)=C(O)C=C5)CO)C6OC(C(O)C(O)C6O)CO O(C1C(O)C(O)C(OC1OC2=C(OC=3C(C2=O)=C(O)C=C(OC4OC(C(O)C(O)C4O)C(O)=O)C3)C5=CC(O)=C(O)C=C5)CO)C6OC(C(O)C(O)C6O)CO is Quercetin 7-glucuronoside 3-sophoroside. It is also related to or classified as glucosiduronic acid , flavonoids .
The molecule CC(C)[C@]12CC[C@](C)(OO1)C1=C([C@H](C)CC1=O)[C@@H]2O CC(C)[C@]12CC[C@](C)(OO1)C1=C([C@H](C)CC1=O)[C@@H]2O is A sesquiterpenoid that is 1,4,5,6,7,8-hexahydro-4,7-epidioxyazulen-3(2H)-one substituted by a hydroxy group at position 8, methyl groups at positions 1 and 4 and an isopropyl group at position 7 (the (1R,4R,7S,8S stereoisomer). Isolated from Nardostachys chinensis, it exhibits antimalarial activity. It has the role of metabolite . It has the role of antimalarial .   It is also related to or classified as secondary alcohol  .  It is also related to or classified as enone  . It is also related to or classified as organic peroxide , sesquiterpenoid , azulenes .
The molecule C[C@@]12CCC[C@@]3([C@@H]1[C@@H]([C@]45[C@H]3CC[C@](C4)(C(=C)C5)O)C(=O)OC)OC2=O is a gibberellin ester that is the methyl ester of gibberellin A20. It is a gibberellin ester, a lactone, a methyl ester, a tertiary alcohol and an organic heteropentacyclic compound. It derives from a gibberellin A20.
The molecule CCNC[C@@H]1[C@H]([C@H](N1C(=O)CC2=CC=CC=N2)CO)C3=CC=CC=C3 CCNC[C@@H]1[C@H]([C@H](N1C(=O)CC2=CC=CC=N2)CO)C3=CC=CC=C3 is 1-[(2S,3R,4S)-2-(ethylaminomethyl)-4-(hydroxymethyl)-3-phenyl-1-azetidinyl]-2-(2-pyridinyl)ethanone. It is also related to or classified as benzenes , ring assembly , azetidines .
The molecule O[C@H](CCc1ccccc1)CC(=O)\C=C\c1ccc(O)cc1 O[C@H](CCc1ccccc1)CC(=O)\C=C\c1ccc(O)cc1 is (-)-(R)-4''-Hydroxyyashabushiketol. It has the role of metabolite . It is also related to or classified as diarylheptanoid .
The molecule CC(C)[C@@]12CC[C@@](C)(OO1)C1=C([C@H](C)CC1=O)[C@H]2O CC(C)[C@@]12CC[C@@](C)(OO1)C1=C([C@H](C)CC1=O)[C@H]2O is A sesquiterpenoid that is 1,4,5,6,7,8-hexahydro-4,7-epidioxyazulen-3(2H)-one substituted by a hydroxy group at position 8, methyl groups at positions 1 and 4 and an isopropyl group at position 7 (the (1R,4R,7R,8R stereoisomer). Isolated from Nardostachys chinensis, it exhibits antimalarial activity. It has the role of metabolite . It has the role of antimalarial .   It is also related to or classified as secondary alcohol  .  It is also related to or classified as enone  . It is also related to or classified as organic peroxide , sesquiterpenoid , azulenes .
The molecule CC1=C(C2=C(C(=C1OC)C)O[C@@H](CC2=O)C3=CC=CC=C3)O is a monohydroxyflavanone that is (2S)-flavanone substituted by a hydroxy group at position 5, a methoxy group at position 7 and methyl groups at positions 6 and 8. It has been isolated from the buds of Cleistocalyx operculatus. It has a role as a plant metabolite. It is a monohydroxyflavanone and a monomethoxyflavanone. It derives from a (2S)-flavanone.
The molecule O1C(C(O)C(O)C(O)C1OC2=C(OC=3C(C2=O)=C(O)C=C(O)C3)C=4C(=C(O)C(O)=C(OC(=O)C5=CC(O)=C(O)C(O)=C5)C4)C)C O1C(C(O)C(O)C(O)C1OC2=C(OC=3C(C2=O)=C(O)C=C(O)C3)C=4C(=C(O)C(O)=C(OC(=O)C5=CC(O)=C(O)C(O)=C5)C4)C)C is 2'-C-Methylmyricetin 3-rhamnoside 5'-gallate. It is also related to or classified as glycoside  . It is also related to or classified as flavonoids .
The molecule [H][C@@]12O[C@]1(CO)[C@@H](O)[C@]1(O)C(=O)C(C)=C[C@@]1([H])[C@]13O[C@@]4(O[C@]([H])([C@]21[H])[C@@](O4)([C@H](OC(C)=O)[C@H]3C)C(C)=C)\C=C\C=C\CCCCC [H][C@@]12O[C@]1(CO)[C@@H](O)[C@]1(O)C(=O)C(C)=C[C@@]1([H])[C@]13O[C@@]4(O[C@]([H])([C@]21[H])[C@@](O4)([C@H](OC(C)=O)[C@H]3C)C(C)=C)\C=C\C=C\CCCCC is Yuanhuadine. It has the role of metabolite . It is also related to or classified as diterpenoid  .
The molecule C1COCCC1C(=O)N2[C@@H]([C@H](C23CN(C3)CC4=CC(=CC=C4)Cl)C5=CC=CC=C5)CO C1COCCC1C(=O)N2[C@@H]([C@H](C23CN(C3)CC4=CC(=CC=C4)Cl)C5=CC=CC=C5)CO is [(2S,3R)-6-[(3-chlorophenyl)methyl]-2-(hydroxymethyl)-3-phenyl-1,6-diazaspiro[3.3]heptan-1-yl]-(4-oxanyl)methanone. It is also related to or classified as benzenes , ring assembly , azetidines .
The molecule [H][C@@]1(CC[C@@]2([H])\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)C[C@H](O)C1=C)[C@H](C)CCC(=O)C(C)(C)O [H][C@@]1(CC[C@@]2([H])\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)C[C@H](O)C1=C)[C@H](C)CCC(=O)C(C)(C)O is (1S)-1,25-dihydroxy-24-oxocalciol. It has the role of human metabolite . It is also related to or classified as tertiary alpha-hydroxy ketone  . It is also related to or classified as hydroxycalciol  . It is also related to or classified as oxocalciol  .
The molecule [H][C@@]12CCC(=C)[C@@H](Cc3c(OC)oc(C)c(C)c3=O)[C@@]1(C)CC[C@H](OC(C)=O)[C@@]2(C)CCC=C(C)C [H][C@@]12CCC(=C)[C@@H](Cc3c(OC)oc(C)c(C)c3=O)[C@@]1(C)CC[C@H](OC(C)=O)[C@@]2(C)CCC=C(C)C is A pyranone diterpenoid isolated from Nalanthamala and Chaunopycnis alba and has been shown to be a blocker of the voltage-gated potassium channel Kv1.3. It has the role of metabolite . It has the role of potassium channel blocker .  It is also related to or classified as ketene acetal  . It is also related to or classified as diterpenoid  .  It is also related to or classified as acetate ester  . It is also related to or classified as enol ether  . It is also related to or classified as 4-pyranones , ortho-fused bicyclic hydrocarbon .
The molecule C1=C(C(=C(C2=C1C(=O)C3=C(C2=O)C(=CC(=C3O)O)O)O)O)CO is an anthraquinone pigment obtained from the mould Aspergillus nidulans. It has a role as a metabolite and a biological pigment.
The molecule CC(C)CC(=O)CC(C)[C@H]1CC[C@@]2(C)[C@@H]3CCC(=C)[C@@H]3[C@@H]12 CC(C)CC(=O)CC(C)[C@H]1CC[C@@]2(C)[C@@H]3CCC(=C)[C@@H]3[C@@H]12 is A diterpenoid isolated from the Hainan soft coral Lobophytum cristatum. It has the role of coral metabolite . It is also related to or classified as ketone  . It is also related to or classified as diterpenoid  . It is also related to or classified as carbotricyclic compound .
The molecule COP(=O)([O-])OCC[NH+]=C(N)N is zwitterionic form of guanidinoethyl methyl phosphate arising from transfer of a proton from the phospho to the guanidino group; major species at pH 7.3. It is a tautomer of a guanidinoethyl methyl phosphate.
The molecule COc1c(ccc(O)c1CC=C(C)C)[C@@H]1COc2c(CC=C(C)C)c(O)ccc2C1=O COc1c(ccc(O)c1CC=C(C)C)[C@@H]1COc2c(CC=C(C)C)c(O)ccc2C1=O is A hydroxyisoflavanone that is isoflavanone substituted by hydroxy groups at positions 7 and 4', a methoxy group at position 2' and prenyl groups at positions 8 and 3'. Isolated from the roots of Lespedeza floribunda, it acts as a melanin synthesis inhibitor. It has the role of metabolite . It has the role of melanin synthesis inhibitor . It is also related to or classified as hydroxyisoflavanone , methoxyisoflavanone .
The molecule C(=O)(C(Cl)(Cl)Cl)[O-] is a monocarboxylic acid anion that results from the removal of a proton from the carboxylic acid group of trichloroacetic acid. It derives from an acetate. It is a conjugate base of a trichloroacetic acid.
The molecule CC(CC(=O)C=C(C)C)[C@H]1CC[C@@]2(C)[C@@H]3CCC(=C)[C@@H]3[C@@H]12 CC(CC(=O)C=C(C)C)[C@H]1CC[C@@]2(C)[C@@H]3CCC(=C)[C@@H]3[C@@H]12 is A diterpenoid isolated from the Hainan soft coral Lobophytum cristatum. It has the role of coral metabolite . It is also related to or classified as diterpenoid  .  It is also related to or classified as enone  . It is also related to or classified as carbotricyclic compound .
The molecule C[C@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)C3CCCCC3)[C@@H](C)CO)C)CN(C)C(=O)NC4=CC=C(C=C4)OC C[C@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)C3CCCCC3)[C@@H](C)CO)C)CN(C)C(=O)NC4=CC=C(C=C4)OC is N-[(3S,9R,10R)-12-[(2S)-1-hydroxypropan-2-yl]-9-[[[(4-methoxyanilino)-oxomethyl]-methylamino]methyl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]cyclohexanecarboxamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=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 CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=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(4-) arising from deprotonation of the phosphate and diphosphate functions of arachidonoyl-CoA. It has the role of human metabolite . It is also related to or classified as polyunsaturated fatty acyl-CoA(4-)  . It is also related to or classified as (11Z)-Delta(11)-fatty acyl-CoA(4-)  .
The molecule Cc1cc(O)cc(C)c1C[C@@H]1CC(=O)OC1(C)C Cc1cc(O)cc(C)c1C[C@@H]1CC(=O)OC1(C)C is A sesquiterpene lactone that is butan-4-olide substituted by geminal methyl groups at position 5 and a 4-hydroxy-2,6-dimethylbenzyl group at position 4. Isolated from Solanum lyratum, it exhibits cytotoxicity against human cancer cell lines. 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 butan-4-olide , sesquiterpene lactone .
The molecule C(CCCCC(=O)[O-])CCCC=O is the conjugate base of 10-oxocapric acid. It is an aldehydic acid anion and an omega-oxo fatty acid anion. It is a conjugate base of a 10-oxocapric acid.