anonymous041/ChEBI-Augmented huggingface dataset:
The molecule CC(=CCC/C(=C/CC1=C(C=CC(=C1O)O)[C@@H]2CC(=O)C3=C(C=C(C=C3O2)O)O)/C)C is a tetrahydroxyflavanone that is (2S)-flavanone substituted by hydroxy group at positions 5, 7, 3' and 4' and a geranyl group at position 2'. Isolated from Macaranga tanarius and propolis collected in Okinawa, it exhibits radical scavenging activity. It has a role as a metabolite and a radical scavenger. It is a tetrahydroxyflavanone and a member of 4'-hydroxyflavanones.
The molecule C[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)O[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2C3=C(C=C(C4=C3OC(=CC4=O)C5=CC=C(C=C5)O)O)O)CO)O)O)O)O)O is a trihydroxyflavone that is vitexin having a beta-L-rhamnosyl residue attached at the 2''-position of the glucitol moiety. It has a role as a plant metabolite. It is a C-glycosyl compound, a disaccharide derivative and a trihydroxyflavone. It derives from a vitexin. It is a conjugate acid of a vitexin 2''-O-beta-L-rhamnoside(1-).
The molecule CC(=O)N[C@H]1C(O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O[C@@H]4O[C@H](CO)[C@@H](O[C@@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4NC(C)=O)[C@@H](O)[C@H](O)[C@@H]3O)[C@H](O)[C@H]2NC(C)=O)[C@@H]1O CC(=O)N[C@H]1C(O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O[C@@H]4O[C@H](CO)[C@@H](O[C@@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4NC(C)=O)[C@@H](O)[C@H](O)[C@@H]3O)[C@H](O)[C@H]2NC(C)=O)[C@@H]1O is A linear amino hexasaccharide comprised of beta-D-galactose, N-acetyl-beta-D-glucosamine, alpha-D-mannose, beta-D-mannose, N-acetyl-beta-D-glucosamine and N-acetyl-D-glucosamine residues linked sequentially (1->4), (1->2), (1->6), (1->4) and (1->4). It has the role of epitope . It is also related to or classified as glucosamine oligosaccharide , amino hexasaccharide .
The molecule CCn1cc[n+](C)c1 CCn1cc[n+](C)c1 is A 1-alkyl-3-methylimidazolium in which the alkyl substituent at C-1 is ethyl. It is also related to or classified as 1-alkyl-3-methylimidazolium  .
The molecule [H][C@]1(O[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@@H](CO)O[C@H](Oc2cc3c(C(=O)c4c(O)c(C)ccc4[C@@]3(C)OO[C@]3(C)c4ccc(C)c(O)c4C(=O)c4c(C)c(C(O)=O)c(O)cc34)c(C)c2C(O)=O)[C@H](O)[C@H]1O [H][C@]1(O[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@@H](CO)O[C@H](Oc2cc3c(C(=O)c4c(O)c(C)ccc4[C@@]3(C)OO[C@]3(C)c4ccc(C)c(O)c4C(=O)c4c(C)c(C(O)=O)c(O)cc34)c(C)c2C(O)=O)[C@H](O)[C@H]1O is A disaccharide derivative that is adxanthromycin A in which the galactosyl moiety has an additional alpha-D-galactosyl residue attached at position 4. It is isolated from the fermentation broth of Streptomyces. It has the role of metabolite . It has the role of antimicrobial agent . It is also related to or classified as glycoside  .  It is also related to or classified as phenols  . It is also related to or classified as organic peroxide , dicarboxylic acid , anthracenes , disaccharide derivative .
The molecule CCCCCCCCC[C@H](CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)O)O is a 3-hydroxy fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of (R)-3-hydroxydodecanoic acid. It is a (R)-3-hydroxyacyl-CoA, a 3-hydroxy fatty acyl-CoA and a medium-chain fatty acyl-CoA. It derives from a (R)-3-hydroxylauric acid. It is a conjugate acid of a (R)-3-hydroxylauroyl-CoA(4-).
The molecule CCCCCCCCCCCCCC[C@H]([C@H]([C@H](CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)NC(=O)CCCCCCCCC/C=C\\C/C=C\\CCCCC)O)O is a glycophytoceramide having an alpha-D-galactopyranosyl residue at the O-1 position and an icosa-11,14-dienoyl group attached to the nitrogen. It has a role as an antigen. It derives from an alpha-D-galactose.
The molecule O([C@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)CO)[C@H]2O[C@@H]([C@H](O)[C@H](O)[C@H]2O)CO O([C@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)CO)[C@H]2O[C@@H]([C@H](O)[C@H](O)[C@H]2O)CO is A glycosyl glycoside that is alpha-D-galactopyranose in which the anomeric hydroxy group has been converted into the corresponding alpha-D-glucopyranosyl derivative. It is also related to or classified as alpha-D-glucoside  .  It is also related to or classified as alpha-D-galactoside  . It is also related to or classified as glycosyl glycoside .
The molecule S(O[C@@H]1[C@@H](O)[C@H](O[C@H]2[C@H](O)[C@@H](NC(=O)C)[C@@H](O[C@@H]2CO)OC[C@H]3O[C@H](O)[C@H](NC(=O)C)[C@@H](O[C@@H]4O[C@@H]([C@H](O)[C@H](O)[C@H]4O)CO)[C@H]3O)O[C@@H]([C@@H]1O)CO)(O)(=O)=O S(O[C@@H]1[C@@H](O)[C@H](O[C@H]2[C@H](O)[C@@H](NC(=O)C)[C@@H](O[C@@H]2CO)OC[C@H]3O[C@H](O)[C@H](NC(=O)C)[C@@H](O[C@@H]4O[C@@H]([C@H](O)[C@H](O)[C@H]4O)CO)[C@H]3O)O[C@@H]([C@@H]1O)CO)(O)(=O)=O is [(2S,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6R)-5-Acetamido-6-[[(2R,3R,4R,5R,6S)-5-acetamido-3,6-dihydroxy-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methoxy]-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl] hydrogen sulfate. It is also related to or classified as carbohydrates and carbohydrate derivatives .
The molecule O1[C@@H]([C@@H](O)[C@H](O)[C@@H](O)C1O)CO[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O O1[C@@H]([C@@H](O)[C@H](O)[C@@H](O)C1O)CO[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O is A disaccharide consisting of beta-D-xylopyranose and D-glucopyranose joined in sequence by a (1->6) glycosidic bond. Its functional parent is beta-D-xylose . Its functional parent is D-glucopyranose . It is also related to or classified as glycoside  . It is also related to or classified as glycosylglucose .
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)CC4=CC=C(C=C4)C(F)(F)F 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)CC4=CC=C(C=C4)C(F)(F)F is N-[(3S,9R,10R)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-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 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)CC(O)CCC(O)=O 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)CC(O)CCC(O)=O is an acyl-CoA that results from formal condensation of the thiol group of coenzyme A with the 1-carboxy group of 3-hydroxyadipic acid. It is a conjugate acid of 3-hydroxyadipyl-CoA(5-) . It is also related to or classified as 3-hydroxyacyl-CoA  .
The molecule [I-].Cn1cc[n+](C)c1 [I-].Cn1cc[n+](C)c1 is an organic iodide salt in which the cationic component is 1,3-dimethylimidazolium. It is also related to or classified as organic iodide salt .
The molecule Cc1ccc2c(C(=O)c3c(C)c(C(O)=O)c(O)cc3[C@]2(C)OO[C@]2(C)c3ccc(C)c(O)c3C(=O)c3c(C)c(C(O)=O)c(O[C@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)cc23)c1O Cc1ccc2c(C(=O)c3c(C)c(C(O)=O)c(O)cc3[C@]2(C)OO[C@]2(C)c3ccc(C)c(O)c3C(=O)c3c(C)c(C(O)=O)c(O[C@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)cc23)c1O is an organic peroxide, which is the 3-alpha-D-galactopyranosyl substituted derivative of the dimer obtained by oxidation at the 10-hydroxy position of (10S)-3,8,10-trihydroxy-1,7,10-trimethyl-9-oxo-9,10-dihydroanthracene-2-carboxylic acid. It is isolated from the fermentation broth of Streptomyces. It has the role of metabolite . It has the role of antimicrobial agent .  It is also related to or classified as phenols  .  It is also related to or classified as alpha-D-galactoside  . It is also related to or classified as organic peroxide , dicarboxylic acid , anthracenes , monosaccharide derivative .
The molecule COC1=C(C(=C(C=C1)CCCC2=CC(=C(C=C2)O)OC)OC)O is a dimethoxybenzene that is 2,6-dimethoxyphenol substituted by a 3-(4-hydroxy-3-methoxyphenyl)propyl group at position 3. It has been isolated from the stems of Combretum griffithii and has been shown to exhibit anticancer activity. It has a role as an antineoplastic agent and a plant metabolite. It is a dimethoxybenzene and a polyphenol.
The molecule C1=CC=C2C(=C1)C(=CC(=O)O2)[O-] is an organic anion that is the conjugate base of 4-hydroxycoumarin, obtained by deprotonation of the 4-hydroxy group. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.). It is a conjugate base of a 4-hydroxycoumarin.
The molecule COC1=CC=CC(=C1)NC(=O)N2C[C@@H]3[C@@H]([C@H](N3C(=O)C2)CO)C4=CC=C(C=C4)C5=CCCCC5 COC1=CC=CC(=C1)NC(=O)N2C[C@@H]3[C@@H]([C@H](N3C(=O)C2)CO)C4=CC=C(C=C4)C5=CCCCC5 is (6S,7S,8S)-7-[4-(1-cyclohexenyl)phenyl]-8-(hydroxymethyl)-N-(3-methoxyphenyl)-2-oxo-1,4-diazabicyclo[4.2.0]octane-4-carboxamide. It is also related to or classified as benzenes , ring assembly , azetidines .
The molecule O[C@H]1CO[C@H](OC[C@H]2O[C@@H](O[C@@H](C#N)c3ccccc3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H]1O O[C@H]1CO[C@H](OC[C@H]2O[C@@H](O[C@@H](C#N)c3ccccc3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H]1O is (R)-vicianin. It is also related to or classified as glycoside  . It is also related to or classified as disaccharide derivative .
The molecule CC(C)CCCCCCCCC\C=C\[C@@H](O)[C@@H](N)COP(O)(O)=O CC(C)CCCCCCCCC\C=C\[C@@H](O)[C@@H](N)COP(O)(O)=O is A phosphosphigolipid that is 15-methylhexadecasphing-4-enine bearing a single phospho substituent at position 1. Its functional parent is 15-methylhexadecasphing-4-enine . It is a conjugate acid of 15-methylhexadecasphing-4-enine 1-phosphate(1-) . It is also related to or classified as sphingoid 1-phosphate  .
The molecule COc1ccc(cc1O)-c1coc2cc([O-])cc(O)c2c1=O COc1ccc(cc1O)-c1coc2cc([O-])cc(O)c2c1=O is A phenolate anion that results from the removal of a proton from the hydroxy group at position 7 of pratensein. It is also related to or classified as phenolate anion .
The molecule [H][C@]1(O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)O[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1O[C@@]1([H])CC[C@@]2(C)[C@@]([H])(CC[C@]3(C)[C@]2([H])CC=C2[C@]4([H])CC(C)(C)CC[C@@]4(CC[C@@]32C)C(O)=O)C1(C)C [H][C@]1(O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)O[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1O[C@@]1([H])CC[C@@]2(C)[C@@]([H])(CC[C@]3(C)[C@]2([H])CC=C2[C@]4([H])CC(C)(C)CC[C@@]4(CC[C@@]32C)C(O)=O)C1(C)C is A pentacyclic triterpenoid that is oleanolic acid substituted by a 2-O-beta-D-glucopyranosyl-beta-D-glucopyranosyl moiety at position O-3.  A natural product found in Luffa acutangula and Viola hondoensis. It has the role of metabolite . Its functional parent is oleanolic acid . It is also related to or classified as glycoside  . It is also related to or classified as monocarboxylic acid , pentacyclic triterpenoid , disaccharide derivative .
The molecule CCCCCCCCCCCCCCCCOCC(=O)COP(=O)(O)O is a 1-alkylglycerone 3-phosphate in which the alkyl group is specified as palmityl (hexadecyl). It is a conjugate acid of a 1-palmitylglycerone 3-phosphate(2-).
The molecule C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O.Cl.Cl is the dihydrochloride salt of sapropterin. It is used for the diagnosis and treatment of variant forms of phenylketonuria (hyperphenylalaninaemia) associated with tetrahydrobiopterin deficiency. Natural cofactor for phenylalanine hydroxylase, tyrosine hydroxylase, tryptophan hydroxylase, and nitric oxide synthetase. It has a role as a diagnostic agent and a coenzyme. It contains a sapropterin.
The molecule C[C@@H](O)C(=O)SC[C@H](NC(=O)CC[C@H](N)C(O)=O)C(=O)NCC(O)=O C[C@@H](O)C(=O)SC[C@H](NC(=O)CC[C@H](N)C(O)=O)C(=O)NCC(O)=O is the S-[(R)-lactoyl] derivative of glutathione. It is an intermediate in the pyruvate metabolism. It has the role of mouse metabolite . It has the role of Saccharomyces cerevisiae metabolite . It has the role of Escherichia coli metabolite . It has the role of human metabolite . Its functional parent is (R)-lactic acid . It is a conjugate acid of (R)-S-lactoylglutathionate(1-) . It is also related to or classified as glutathione derivative .
The molecule C[C@H]1[C@@]23C(=O)O[C@]4([C@@H]([C@]5(O2)C(=C)[C@]6(CC[C@]5([C@@]3(C4=C)C(=O)O1)C)C=CC(=O)OC6(C)C)O)C is a meroterpenoid produced by Aspergillus nidulans. It has an oxygen-bridged pentacyclic structure which incorporates three lactone functionalities and a spiro union.
The molecule [H][C@]1(O[C@@](C[C@H](O)[C@H]1NC(C)=O)(OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](NC(C)=O)[C@@H](O[C@@H]2CO)O[C@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]2OC[C@H]2O[C@@H](O[C@H]3[C@H](O)[C@@H](NC(C)=O)[C@@H](O[C@@H]3CO)O[C@H]3[C@H](O)[C@@H](NC(C)=O)[C@H](O)O[C@@H]3CO)[C@@H](O)[C@@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O[C@@H]3O[C@H](CO)[C@@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3NC(C)=O)[C@@H]2O)[C@H](O)[C@@H](O)[C@H]1O)C(O)=O)[C@H](O)[C@H](O)CO [H][C@]1(O[C@@](C[C@H](O)[C@H]1NC(C)=O)(OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](NC(C)=O)[C@@H](O[C@@H]2CO)O[C@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]2OC[C@H]2O[C@@H](O[C@H]3[C@H](O)[C@@H](NC(C)=O)[C@@H](O[C@@H]3CO)O[C@H]3[C@H](O)[C@@H](NC(C)=O)[C@H](O)O[C@@H]3CO)[C@@H](O)[C@@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O[C@@H]3O[C@H](CO)[C@@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3NC(C)=O)[C@@H]2O)[C@H](O)[C@@H](O)[C@H]1O)C(O)=O)[C@H](O)[C@H](O)CO is A branched amino decasaccharide comprised of a linear hexasaccharide chain of beta-D-galactose, N-acetyl-beta-D-glucosamine, alpha-D-mannose, beta-D-mannose, and two N-acetyl-beta-D-glucosamine residues linked sequentially (1->4), (1->2), (1->3), (1->4) and (1->4), to the beta-D-mannose residue of which is (1->6)-linked an N-acetyl-alpha-neuraminyl-(2->6)-beta-D-galactosyl-(1->4)-N-acetyl-beta-D-glucosaminyl-(1->2)-alpha-D-mannosyl side-chain. It has the role of epitope . It is also related to or classified as glucosamine oligosaccharide , amino decasaccharide .
The molecule Cn1cc[n+](C)c1 Cn1cc[n+](C)c1 is A 1-alkyl-3-methylimidazolium in which the alkyl substituent at C-1 is methyl. It is also related to or classified as 1-alkyl-3-methylimidazolium  .
The molecule Oc1ccccc1Cc1c(O)c(C(=O)CCc2ccccc2)c2oc3ccccc3c(=O)c2c1O Oc1ccccc1Cc1c(O)c(C(=O)CCc2ccccc2)c2oc3ccccc3c(=O)c2c1O is A member of the class of xanthones that is 9H-xanthen-9-one substituted by hydroxy groups at positions 1 and 3, a 2-hydroxybenzyl group at position 2 and a 3-phenylpropanoyl group at position 4. It is isolated from the roots of Uvaria acuminata and exhibits potent cytotoxicity against human promyelocytic leukemia HL-60 cells. 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 xanthones , dihydrochalcones .
The molecule CCCCCCCCCCCCCCCCCCCCCCCC(=O)O is a C24 straight-chain saturated fatty acid. It has a role as a volatile oil component, a plant metabolite, a human metabolite and a Daphnia tenebrosa metabolite. It is a very long-chain fatty acid and a straight-chain saturated fatty acid. It is a conjugate acid of a tetracosanoate.
The molecule CC/C=C\\C/C=C\\C/C=C\\CCCCCCCC(=O)OC[C@H](COP(=O)(O)O)O is a 1-acyl-sn-glycerol 3-phosphate in which the 1-acyl substituent is specified as linolenoyl (9Z,12Z,15Z-octadecatrienoyl). It derives from an alpha-linolenic acid. It is a conjugate acid of a 1-linolenoyl-sn-glycero-3-phosphate(2-).
The molecule C[C@H]1OC(O)[C@H](O)[C@@H](O)[C@H]1O C[C@H]1OC(O)[C@H](O)[C@@H](O)[C@H]1O is the six-membered ring form of D-fucose. It is also related to or classified as D-fucose  . It is also related to or classified as fucopyranose  .
The molecule C1C2(CN1CC3=NC=CS3)[C@H]([C@H](N2C(=O)C4=CC=CC=C4)CO)C5=CC=CC=C5 C1C2(CN1CC3=NC=CS3)[C@H]([C@H](N2C(=O)C4=CC=CC=C4)CO)C5=CC=CC=C5 is [(2S,3S)-2-(hydroxymethyl)-3-phenyl-6-(2-thiazolylmethyl)-1,6-diazaspiro[3.3]heptan-1-yl]-phenylmethanone. It is also related to or classified as benzenes , ring assembly , azetidines .
The molecule CCN(CC)C(C)C(=O)c1ccccc1 CCN(CC)C(C)C(=O)c1ccccc1 is an  aromatic ketone that is propiophenone in which one of the hydrogens alpha- to the carbonyl is substituted by a diethylamino group. A central stimulant and indirect-acting sympathomimetic, it is an appetite depressant and is used as the hydrochloride as an anoretic in the short term management of obesity. It has the role of appetite depressant . Its functional parent is propiophenone . It is also related to or classified as tertiary amine  . It is also related to or classified as aromatic ketone .
The molecule C[C@@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC(C)C)[C@H](C)CO)C)CN(C)C(=O)C3=CC=NC=C3 C[C@@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC(C)C)[C@H](C)CO)C)CN(C)C(=O)C3=CC=NC=C3 is N-[[(3R,9R,10R)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-16-[[oxo-(propan-2-ylamino)methyl]amino]-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N-methyl-4-pyridinecarboxamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule CC(=C)[C@@H]1CC2=C(O1)C=CC3=C2OC(=O)C=C3 is a furanocoumarin that is 8,9-dihydro-2H-furo[2,3-h][1]benzopyran-2-one carrying a prop-1-en-2-yl substituent at position 8. It has a role as a plant metabolite. It is a furanocoumarin and an olefinic compound.
The molecule [H]C(=O)CCCCCCCCCCCC(C)C [H]C(=O)CCCCCCCCCCCC(C)C is A fatty aldehyde consisting of tetradecanal substituted at position 13 by a methyl group. It is also related to or classified as long-chain fatty aldehyde  .
The molecule CCCCCCCCCCCCC[C@@H]1C[C@@H](O)C[C@@]2(CC[C@@]3(O2)C=CC(=O)C[C@@H]3O)O1 CCCCCCCCCCCCC[C@@H]1C[C@@H](O)C[C@@]2(CC[C@@]3(O2)C=CC(=O)C[C@@H]3O)O1 is an oxaspiro compound that is 1,7-dioxadispiro[5.1.5.2]pentadec-9-en-11-one substituted by hydroxy groups at positions 4 and 13 and a tridecyl group at position 2 (the (2R,4R,6S,8R,13S stereoisomer). It is isolated from the leaves of Amomum aculeatum and exhibits toxicity against some cancer cell lines like human lung carcinoma, hormone-dependent lung carcinoma and human breast carcinoma. It has the role of metabolite . It has the role of antineoplastic agent .  It is also related to or classified as enone  . It is also related to or classified as organic heterotricyclic compound , spiroketal , oxaspiro compound .
The molecule C1=C(NC(=O)N=C1)N is an aminopyrimidine that is pyrimidin-2-one having the amino group located at position 4. It has a role as a human metabolite, an Escherichia coli metabolite, a Saccharomyces cerevisiae metabolite and a mouse metabolite. It is a pyrimidine nucleobase, a pyrimidone and an aminopyrimidine.
The molecule CCC/C=C/C=C/C=C\\C(=O)O[C@@]12[C@@H](C1(C)C)[C@@H]3C=C(C[C@H]4[C@H]([C@]3([C@@H]([C@H]2OC(=O)C)C)O)C=C(C4=O)C)CO is a phorbol ester that consists of 4-deoxyphorbol bearing O-acetyl and O-[13-(2Z,4E,6E)-deca-2,4,6-trienoyl] substituents at position 12 and 13 respectively.
The molecule C=1(C=C(C(=C(C1C)C)C(=O)O)O)O C=1(C=C(C(=C(C1C)C)C(=O)O)O)O is A dihydroxybenzoic acid that is o-orsellinic acid in which the hydrogen at position 5 is substituted by a methyl group. It has the role of fungal metabolite . Its functional parent is o-orsellinic acid . It is a conjugate acid of 5-methylorsellinate . It is also related to or classified as dihydroxybenzoic acid , resorcinols .
The molecule [C@]123[C@@]4([C@](C([C@@H](O)CC4)(C)C)(CC[C@]1([C@]5([C@]([C@@]([C@@H](CCC(C(C)C)=C)C)(CC5)[H])(C)CC2)C)[H])[H])C3 [C@]123[C@@]4([C@](C([C@@H](O)CC4)(C)C)(CC[C@]1([C@]5([C@]([C@@]([C@@H](CCC(C(C)C)=C)C)(CC5)[H])(C)CC2)C)[H])[H])C3 is A pentacyclic triterpenoid that is (9beta)-24-methylene-9,19-cyclolanostane which carries a hydroxy group at position 3beta. It is isolated from several plant species including Euphorbia, Epidendrum, Psychotria and Sideritis. It has the role of plant metabolite .  It is also related to or classified as 3beta-hydroxy steroid  . It is also related to or classified as pentacyclic triterpenoid .
The molecule N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CO)C(O)=O N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CO)C(O)=O is A dipeptide that is the N-(L-phenylalanyl) derivative of L-serine. It has the role of metabolite . Its functional parent is L-serine . Its functional parent is L-phenylalanine . It is also related to or classified as dipeptide  .
The molecule FC(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F FC(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F is an imide anion in which the substituents on the negatively charged nitrogen are triflyl groups. It is also related to or classified as imide anion .
The molecule [H][C@@]12CC[C@@]3(OC(C)=O)[C@@]4([H])C[C@]5([H])[C@@]6(C)CC[C@H](OC)C5(C4N(CC)C6)[C@]([H])(C1)[C@]3([H])C(=O)O2 [H][C@@]12CC[C@@]3(OC(C)=O)[C@@]4([H])C[C@]5([H])[C@@]6(C)CC[C@H](OC)C5(C4N(CC)C6)[C@]([H])(C1)[C@]3([H])C(=O)O2 is A diterpene alkaloid isolated from the roots of Delphinium denudatum that exhibits antifungal activity. It has the role of antifungal agent . It is also related to or classified as delta-lactone  .  It is also related to or classified as ether  . It is also related to or classified as tertiary amine  .  It is also related to or classified as acetate ester  . It is also related to or classified as diterpene alkaloid , bridged compound .
The molecule C1=NC2=C(N1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)([O-])OP(=O)([O-])[O-])OP(=O)([O-])OP(=O)([O-])[O-])O)N=C(NC2=O)N is an organophosphate oxoanion arising from deprotonation of the six diphosphate OH groups of guanosine 3',5'-bis(diphosphate); major species at pH 7.3. It is a conjugate base of a guanosine 3',5'-bis(diphosphate) and a guanosine 3',5'-bis(diphosphate)(5-).
The molecule CC(C)[C@@H](C(=O)N[C@@H](CC(=O)OC)C1=CC=C(C=C1)Cl)NC(=O)OC(C)C is a methyl 3-(4-chlorophenyl)-3-{[N-(isopropoxycarbonyl)valyl]amino}propanoate resulting from the formal condensation of the carboxylic acid group of N-(isopropoxycarbonyl)-L-valine with the amino group of methyl (3S)-3-amino-3-(4-chlorophenyl)propanoate.
The molecule [H]C(=O)C(C)O [H]C(=O)C(C)O is A member of the class of  propanals obtained by the reduction of the carboxylic group of lactic acid (2-hydroxypropanoic acid). It has the role of mouse metabolite .  It is also related to or classified as hydroxyaldehyde  . It is also related to or classified as propanals .
The molecule CC(C)CCCCCCCCCCC[C@@H](O)[C@@H]([NH3+])COP([O-])([O-])=O CC(C)CCCCCCCCCCC[C@@H](O)[C@@H]([NH3+])COP([O-])([O-])=O is an anionic phospholipid that is the conjugate base of 15-methylhexadecasphinganine 1-phosphate, having an anionic phosphate group and a protonated amino group; major species at pH 7.3. It is also related to or classified as sphingoid 1-phosphate(1-)  .
The molecule OC[C@H]1O[C@@H](Oc2cc3c(O)cc(O)cc3[o+]c2-c2ccc(O)c(O)c2)[C@H](O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C([O-])=O)[C@@H](O)[C@@H]1O OC[C@H]1O[C@@H](Oc2cc3c(O)cc(O)cc3[o+]c2-c2ccc(O)c(O)c2)[C@H](O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C([O-])=O)[C@@H](O)[C@@H]1O is an oxonium betaine that is the conjugate base of cyanidin 3-O-(2-O-beta-D-glucuronosyl)-beta-D-glucoside, arising from deprotonation of the carboxy group; major species at pH 7.3. Its functional parent is cyanidin cation . It is a conjugate acid of cyanidin 3-O-(2-O-beta-D-glucuronosyl)-beta-D-glucoside(2-) . It is also related to or classified as oxonium betaine .
The molecule C1=CC=C(C=C1)S(=O)[O-] is an organosulfinate that is the conjugate base of benzenesulfinic acid obtained by deprotonation of the sulfinic acid group. It is a conjugate base of a benzenesulfinic acid.
The molecule C1CC(N=C(C1)C(=O)O)C(=O)O is an amino dicarboxylic acid consisting of 2,3,4,5-tetrahydrodipyridine having two carboxy groups at the 2- and 6-positions. It has a role as an Escherichia coli metabolite. It is an amino dicarboxylic acid and a tetrahydropyridine. It derives from a dipicolinic acid. It is a conjugate acid of a 2,3,4,5-tetrahydrodipicolinate(2-).
The molecule [H][C@]12OC(=O)C=C1[C@@H](O)C[C@@]1([H])[C@]3(C)CC[C@@]4([H])C(C)(C)CCC[C@]4(C)[C@@]3([H])C[C@@H](OC(C)=O)[C@]21C [H][C@]12OC(=O)C=C1[C@@H](O)C[C@@]1([H])[C@]3(C)CC[C@@]4([H])C(C)(C)CCC[C@]4(C)[C@@]3([H])C[C@@H](OC(C)=O)[C@]21C is A scalarane sesterterpenoid isolated from the marine sponge Hyrtios erectus that exhibits antineoplastic 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 gamma-lactone  .  It is also related to or classified as acetate ester  . It is also related to or classified as organic heteropentacyclic compound , scalarane sesterterpenoid .