anonymous041/ChEBI-Augmented huggingface dataset:
The molecule O([C@@H]1[C@H](O)[C@@H](O)[C@@H](O[C@H]1OC2=C(OC=3C(C2=O)=C(O)C=C(O)C3CC=C(C)C)C4=CC=C(OC)C=C4)C)[C@@H]5O[C@@H]([C@@H](O)[C@H](O)[C@H]5O)CO O([C@@H]1[C@H](O)[C@@H](O)[C@@H](O[C@H]1OC2=C(OC=3C(C2=O)=C(O)C=C(O)C3CC=C(C)C)C4=CC=C(OC)C=C4)C)[C@@H]5O[C@@H]([C@@H](O)[C@H](O)[C@H]5O)CO is Sagittatoside A. It is also related to or classified as glycoside  . It is also related to or classified as flavonoids .
The molecule CON1c2ccccc2[C@]2(C=C(OC)C(=O)N3\C(=C\c4c[nH]cn4)C(=O)N[C@]123)C(C)(C)C=C CON1c2ccccc2[C@]2(C=C(OC)C(=O)N3\C(=C\c4c[nH]cn4)C(=O)N[C@]123)C(C)(C)C=C is an indole alkaloid with a heterotetracyclic skeleton isolated from Penicillium oxalicum and has been shown to exhibit cytotoxic activity. It has the role of antineoplastic agent . It has the role of Penicillium metabolite .  It is also related to or classified as lactam  .   It is also related to or classified as enol ether  . It is also related to or classified as imidazoles , organic heterotetracyclic compound , indole alkaloid .
The molecule CCCCC/C=C\\C=C\\[C@@H](C/C=C\\C=C\\[C@H](CCCC(=O)O)O)O is a DiHETE that is (6E,8Z,12E,14Z)-icosatetraenoic acid in which the two hydroxy substituents are placed at the 5S- and 11R-positions. It has a role as a human xenobiotic metabolite. It is a conjugate acid of a 5(S),11(R)-DiHETE(1-).
The molecule CC(=O)[C@@H](O)[C@H](O)C[C@H](N)C(O)=O CC(=O)[C@@H](O)[C@H](O)C[C@H](N)C(O)=O is A ketoaldonic acid derivative derivative that is a seven-membered ketoaldonic acid having an amino substituent at the 2-position and the 3- and 7-positions deoxygenated. It is also related to or classified as ketoaldonic acid derivative .
The molecule CC(CN1C[C@@H](C)O[C@H](C)C1)Cc1ccc(cc1)C(C)(C)C CC(CN1C[C@@H](C)O[C@H](C)C1)Cc1ccc(cc1)C(C)(C)C is A trans-[3-(4-tert-butylphenyl)-2-methylpropyl]-2,6-dimethylmorpholine in which both of the stereocentres in the morpholine ring have R configuration. It is also related to or classified as trans-[3-(4-tert-butylphenyl)-2-methylpropyl]-2,6-dimethylmorpholine .
The molecule NC1=NC=NC2=C1N=CN2[C@@H]3O[C@H](COP(=O)(OC(C4=CC=C(C=C4)Br)=O)[O-])[C@@H](O)[C@H]3O NC1=NC=NC2=C1N=CN2[C@@H]3O[C@H](COP(=O)(OC(C4=CC=C(C=C4)Br)=O)[O-])[C@@H](O)[C@H]3O is an organophosphate oxoanion obtained by deprotonation of the phosphate OH group of 4-bromobenzoyl-AMP; major microspecies at pH 7.3. Its functional parent is 4-bromobenzoate . Its functional parent is adenosine 5'-monophosphate(2-) . It is also related to or classified as organophosphate oxoanion .
The molecule CON1c2ccccc2[C@]2(C=C(O)C(=O)N3\C(=C\c4c[nH]cn4)C(=O)N[C@]123)C(C)(C)C=C CON1c2ccccc2[C@]2(C=C(O)C(=O)N3\C(=C\c4c[nH]cn4)C(=O)N[C@]123)C(C)(C)C=C is an  indole alkaloid with a heterotetracyclic skeleton isolated from Penicillium oxalicum. It has the role of Penicillium metabolite . Its functional parent is glandicoline B .  It is also related to or classified as lactam  . It is also related to or classified as enol  . It is also related to or classified as imidazoles , organic heterotetracyclic compound , indole alkaloid .
The molecule OC(=O)CC[C@H](\N=C/C=C1C[C@H](NC(=C\1)C(O)=O)C(O)=O)C(O)=O OC(=O)CC[C@H](\N=C/C=C1C[C@H](NC(=C\1)C(O)=O)C(O)=O)C(O)=O is Vulgaxanthin-II. Its functional parent is tetracarboxylic acid . It is also related to or classified as organooxygen compound .
The molecule CC(=CC[C@@H]1[C@@](O1)(C)[C@H]2[C@@H]([C@@H](CC[C@]23CO3)OC(=O)/C=C/C=C/C=C/C=C/C(=O)O)OC)C is a meroterpenoid resulting from the formal condensation of the hydroxy group of fumagillol with the carboxylic acid group of (all-E)-deca-2,4,6,8-tetraenedioic acid. Originally isolated from the fungus Aspergillus fumigatus, it is used for the control of Nosema infection in honey bees. It has a role as an angiogenesis inhibitor, an antibacterial drug, an antiprotozoal drug, a methionine aminopeptidase 2 inhibitor, an antimicrobial agent and a fungal metabolite. It is an organooxygen heterocyclic antibiotic, a meroterpenoid, a carboxylic ester, a dicarboxylic acid monoester, an antibiotic antifungal drug and a spiro-epoxide. It derives from a fumagillol and an (all-E)-deca-2,4,6,8-tetraenedioic acid.
The molecule CC1=C(C(=O)N=N1)NNC2=CC=C(C=C2)Cl CC1=C(C(=O)N=N1)NNC2=CC=C(C=C2)Cl is 4-[(4-chlorophenyl)hydrazo]-5-methyl-3-pyrazolone. Its functional parent is alpha-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .
The molecule CCCCCCCCCCCCCCCCCCC(C(=O)N[C@@H](CO)[C@@H](/C=C/CCCCCCCCCC(C)C)O)O is an N-acyl-15-methylhexadecasphing-4-enine in which the acyl group has 20 carbons and 0 double bonds and is 2-hydroxylated. It derives from a 15-methylhexadecasphing-4-enine.
The molecule O1[C@@H]([C@@H](O)CC2=C1C=C(O)C=C2OC)C3=CC=C(OC)C=C3 O1[C@@H]([C@@H](O)CC2=C1C=C(O)C=C2OC)C3=CC=C(OC)C=C3 is Afzelechin 5,4'-dimethyl ether. It is also related to or classified as ether  . It is also related to or classified as flavonoids .
The molecule OC(=O)c1ccccc1-c1c2cc(F)c(O)cc2oc2cc(=O)c(F)cc12 OC(=O)c1ccccc1-c1c2cc(F)c(O)cc2oc2cc(=O)c(F)cc12 is A xanthene dye that is fluorescein bearing two fluoro substituents at positions 2' and 7'. It has the role of fluorochrome . It is also related to or classified as xanthene dye .
The molecule C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O.[Na+].[Na+].[Na+] is the trisodium salt of citric acid. It has a role as a flavouring agent and an anticoagulant. It contains a citrate(3-).
The molecule C[NH2+][C@@H]1Cc2c[nH]c3cccc([C@H]1\C=C(/C)CO)c23 C[NH2+][C@@H]1Cc2c[nH]c3cccc([C@H]1\C=C(/C)CO)c23 is an organic cation that is the conjugate acid of chanoclavine-I, obtained by protonation of the secondary amino group. It is a conjugate acid of chanoclavine-I . It is also related to or classified as organic cation , ammonium ion derivative .
The molecule O([C@@H]1[C@H](O)[C@@H](NC(=O)C)[C@@H](O[C@@H]1CO)O)[C@@H]2O[C@@H]([C@H](O)[C@H](O)[C@H]2O)CO O([C@@H]1[C@H](O)[C@@H](NC(=O)C)[C@@H](O[C@@H]1CO)O)[C@@H]2O[C@@H]([C@H](O)[C@H](O)[C@H]2O)CO is an amino disaccharide consisting of beta-D-galacopyranose and 2-acetamido-2-deoxy-beta-D-galactopyranose residues joined in sequence by a (1->4) glycosidic linkage. Its functional parent is beta-D-galactose . Its functional parent is N-acetyl-beta-D-galactosamine . It is also related to or classified as acetamides , amino disaccharide .
The molecule C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@H]2[C@@H]([C@H](O[C@H]([C@@H]2O)OCCS)CO)O)O)O)O is a glycoside that consists of 2-sulfanylethyl beta-D-glucoside having an alpha-L-rhamnosyl residue at the 3-position. It is a glycoside and a disaccharide derivative.
The molecule COc1c(O)c2oc3ccccc3c(=O)c2c(c1OC)-c1c(OC)c(OC)c(O)c2oc3ccccc3c(=O)c12 COc1c(O)c2oc3ccccc3c(=O)c2c(c1OC)-c1c(OC)c(OC)c(O)c2oc3ccccc3c(=O)c12 is hyperidixanthone. It has the role of metabolite . It is also related to or classified as tannin .
The molecule C[C@H]1CN([C@@H](COC2=C(C=C(C=C2)NC(=O)C)C(=O)N(C[C@H]1OC)C)C)C(=O)CN(C)C C[C@H]1CN([C@@H](COC2=C(C=C(C=C2)NC(=O)C)C(=O)N(C[C@H]1OC)C)C)C(=O)CN(C)C is N-[(4R,7S,8S)-5-[2-(dimethylamino)-1-oxoethyl]-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]acetamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule CC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=N2)N(C)C4CCN(CC4)C is a member of the class of quinazolines that is quinazoline which is substituted by a 4-methylphenyl group and a methyl(1-methylpiperidin-4-yl)nitrilo group at positions 2 and 4, respectively. It is a member of quinazolines, a tertiary amino compound, a member of piperidines and a member of toluenes.
The molecule CCCCCCCC\C=C/CCCCCCCC(=O)OCC(COP(O)(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/CCCCCCCC CCCCCCCC\C=C/CCCCCCCC(=O)OCC(COP(O)(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/CCCCCCCC is A phosphatidylcholine in which the phosphatidyl acyl groups are both oleoyl. It is also related to or classified as phosphatidylcholine(1+)  .
The molecule CC(=CCC/C(=C/CC/C(=C/CC/C(=C/COC[C@@H](COP(=O)([O-])[O-])O)/C)/C)/C)C is dianion of sn-3-O-(geranylgeranyl)glycerol 1-phosphate arising from deprotonation of the phosphate OH groups. It is a conjugate base of a sn-3-O-(geranylgeranyl)glycerol 1-phosphate.
The molecule O(C1[C@@H](O)[C@H](O)C(O[C@H]1OC2=C(O)C(O)=C3C(OC(=CC3=O)C4=CC(O)=C(O)C=C4)=C2)CO)[C@@H]5OC([C@@H](O)[C@H](O)C5O)COC(=O)/C=C/C6=CC=C(O)C=C6 O(C1[C@@H](O)[C@H](O)C(O[C@H]1OC2=C(O)C(O)=C3C(OC(=CC3=O)C4=CC(O)=C(O)C=C4)=C2)CO)[C@@H]5OC([C@@H](O)[C@H](O)C5O)COC(=O)/C=C/C6=CC=C(O)C=C6 is 6-Hydroxyluteoin-7-(6'''-p-coumarylsophoroside). It is also related to or classified as glycoside  . It is also related to or classified as flavonoids .
The molecule Oc1c(Cl)cc2c(oc3c([As]4SCCS4)c(O)c(Cl)cc3c2=O)c1[As]1SCCS1 Oc1c(Cl)cc2c(oc3c([As]4SCCS4)c(O)c(Cl)cc3c2=O)c1[As]1SCCS1 is CHOxAsH-bis(1,2-ethanedithiol). It has the role of fluorochrome . It is also related to or classified as xanthene dye .
The molecule O([C@@H]1O[C@H]([C@H](O)[C@H]1O)[C@H](O)CO)[C@@H]2[C@@H](O)C(O)O[C@H]2[C@H](O)CO O([C@@H]1O[C@H]([C@H](O)[C@H]1O)[C@H](O)CO)[C@@H]2[C@@H](O)C(O)O[C@H]2[C@H](O)CO is A glycosylgalactose consisting of beta-D-galactofuranose and D-galactofuranose residues joined in sequence by a (1->3) glycosidic bond. Its functional parent is D-galactofuranose . Its functional parent is beta-D-galactofuranose . It is also related to or classified as glycosylgalactose .
The molecule C(CCCCN=C(N)N)CCCNCCCCCCCCN=C(N)N is a member of the class of guanidines that is dioctylamine in which a hydrogen from each of the terminal methyl groups is replaced by a guanidino group. Once used as a fungicidal seed dressing, it is no longer approved for use in the European Union. It has a role as an antifungal agrochemical. It is a member of guanidines, a secondary amino compound and an aliphatic nitrogen antifungal agent.
The molecule Cc1ccc(N)c(C)c1 Cc1ccc(N)c(C)c1 is A  primary arylamine that is aniline in which the hydrogens at the 2- and 4-positions are replaced by methyl groups. A clear to yellow liquid, it is used in production of certain dyes, pesticides and other chemicals.  It is also related to or classified as primary arylamine  . It is also related to or classified as dimethylaniline .
The molecule C[C@H]1CN([C@@H](COC2=C(C=CC(=C2)NC(=O)NC(C)C)C(=O)N(C[C@H]1OC)C)C)CC3=CC=CC=N3 C[C@H]1CN([C@@H](COC2=C(C=CC(=C2)NC(=O)NC(C)C)C(=O)N(C[C@H]1OC)C)C)CC3=CC=CC=N3 is 1-[(5S,6S,9R)-5-methoxy-3,6,9-trimethyl-2-oxo-8-(2-pyridinylmethyl)-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-propan-2-ylurea. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule O[C@@H](CCCC(O)=O)/C=C\C=C\CCC(=O)C/C=C\C=C\[C@@H](O)CC O[C@@H](CCCC(O)=O)/C=C\C=C\CCC(=O)C/C=C\C=C\[C@@H](O)CC is 10,11-Dihydro-12-oxo-Resolvin E1. It is also related to or classified as hydroxy fatty acid , polyunsaturated fatty acid .
The molecule C[C@@H]1CN([C@H](COC2=C(C=C(C=C2)NC(=O)C3=NC4=CC=CC=C4S3)C(=O)N(C[C@H]1OC)C)C)CC5=CC=NC=C5 C[C@@H]1CN([C@H](COC2=C(C=C(C=C2)NC(=O)C3=NC4=CC=CC=C4S3)C(=O)N(C[C@H]1OC)C)C)CC5=CC=NC=C5 is N-[(4S,7R,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(pyridin-4-ylmethyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-1,3-benzothiazole-2-carboxamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule CCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)[C@@H]([C@@H](CCCCCCCCCCC(C)C)O)O is an N-acyl-1-O-beta-D-glucosyl-4-hydroxy-15-methylhexadecasphinganine in which the acyl group has 27 carbons and 0 double bonds. It derives from a 15-methylhexadecaphytosphingosine.
The molecule [H][C@]12C[C@H](OC1(Oc1c(C2)c(OC)c(C)c(O)c1C(=O)C(C)CC)c1ccc2OCOc2c1)c1ccc2OCOc2c1 [H][C@]12C[C@H](OC1(Oc1c(C2)c(OC)c(C)c(O)c1C(=O)C(C)CC)c1ccc2OCOc2c1)c1ccc2OCOc2c1 is hyperaspidinol B. It has the role of metabolite . It is also related to or classified as ether  .
The molecule O1[C@H]([C@@H](O)C(O)C(O)[C@@]1(C=2C=3OC=C(C(=O)C3C=CC2O)C4=CC=C(O)C=C4)[H])CO[C@@H]5OC[C@@H](O)[C@H](O)C5O O1[C@H]([C@@H](O)C(O)C(O)[C@@]1(C=2C=3OC=C(C(=O)C3C=CC2O)C4=CC=C(O)C=C4)[H])CO[C@@H]5OC[C@@H](O)[C@H](O)C5O is Pueraria glycoside 2. It is also related to or classified as C-glycosyl compound , isoflavonoid .
The molecule CC(=O)[C@]1([C@@H](C[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C)O)O is a pregnane sterol that is pregnenolone substituted by two hydroxy groups at positions 16 and 17 (16alpha,17alpha-stereoisomer). It is a hydroxypregnenolone, a pregnane sterol, a 16alpha-hydroxy steroid, a 17alpha-hydroxy steroid and a tertiary alpha-hydroxy ketone.
The molecule CCCCCCCC\C=C/CCCCCCCC(=O)OCC(COP(O)(O)=O)OC(=O)CCCCCCC\C=C/CCCCCCCC CCCCCCCC\C=C/CCCCCCCC(=O)OCC(COP(O)(O)=O)OC(=O)CCCCCCC\C=C/CCCCCCCC is A phosphatidic acid in which the phosphatidyl acyl groups are both oleoyl. It is a conjugate acid of dioleoylphosphatidate(2-) . It is also related to or classified as 1,2-bis(octadec-9-enoyl)phosphatidic acid  .
The molecule CN(C)C(=S)S[Fe](SC(=S)N(C)C)SC(=S)N(C)C CN(C)C(=S)S[Fe](SC(=S)N(C)C)SC(=S)N(C)C is A dithiocarbamate salt that is the iron(III) salt of dimethyldithiocarbamic acid. Formerly used as a fungicide. It has the role of antifungal agrochemical . Its functional parent is dimethyldithiocarbamic acid . It is also related to or classified as iron coordination entity , dithiocarbamate salt .
The molecule C1[C@@H]([C@H](C(=O)O1)C(=O)C2=CC3=C(C=C2)OCO3)[C@@H](C4=CC5=C(C=C4)OCO5)O is a lignan isolated from the leaves of Piper sanguineispicum. It has a role as a plant metabolite. It is a lignan, a member of benzodioxoles and a gamma-lactone.
The molecule O1[C@@H](O[C@@H]2OC=C([C@H]([C@H]2C=C)CC(O)=O)C(OC)=O)[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO O1[C@@H](O[C@@H]2OC=C([C@H]([C@H]2C=C)CC(O)=O)C(OC)=O)[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO is A secoiridoid glycoside that is [(2R,3R,4S)-2-hydroxy-5-(methoxycarbonyl)-3-vinyl-3,4-dihydro-2H-pyran-4-yl]acetic acid in which the anometric hydroxy group has been converted to the corresponding beta-D-glucoside. It has been isolated from several plant species and exhibits antioxidant and anti-allergic properties. It has the role of antioxidant . It has the role of anti-allergic agent . It has the role of plant metabolite . It is a conjugate acid of secoxyloganin(1-) . It is also related to or classified as beta-D-glucoside  . It is also related to or classified as methyl ester  .    It is also related to or classified as enoate ester  . It is also related to or classified as pyrans , dicarboxylic acid monoester , secoiridoid glycoside , monosaccharide derivative .
The molecule [H]\C(C)=C1/CN2CC[C@@]34c5ccccc5N=C3[C@]2([H])C[C@]1([H])C4([H])C [H]\C(C)=C1/CN2CC[C@@]34c5ccccc5N=C3[C@]2([H])C[C@]1([H])C4([H])C is akuammilan. It is also related to or classified as indole alkaloid fundamental parent , indole alkaloid .
The molecule [H]C(=O)c1cc2cc3ccccc3cc2cc1C([H])=O [H]C(=O)c1cc2cc3ccccc3cc2cc1C([H])=O is anthracene-2,3-dialdehyde.  It is also related to or classified as anthracenedialdehyde  . It is also related to or classified as acene-2,3-dialdehyde .
The molecule C1=CN(C2=NC(=NC2=C1)NCCC[C@@H](C(=O)O)N)CCCC[C@@H](C(=O)O)N is an imidazopyridine having norleucine and ornithine residues attached via their side-chains at the 4- and 2-positions respectively. It has a role as a cross-linking reagent and a biomarker. It is an imidazopyridine and a non-proteinogenic L-alpha-amino acid.
The molecule O1[C@@H]([C@@H](O)[C@H](O)[C@@H](O)[C@@H]1OC=2C3=C(OC(=CC3=O)C4=CC=CC=C4)C=C(O)C2)CO O1[C@@H]([C@@H](O)[C@H](O)[C@@H](O)[C@@H]1OC=2C3=C(OC(=CC3=O)C4=CC=CC=C4)C=C(O)C2)CO is Toringin. It is also related to or classified as glycoside  . It is also related to or classified as flavonoids .
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)O)O[C@@H]3[C@H]([C@@H](O[C@H]([C@@H]3O)O[C@@H]4[C@H]([C@@H](O[C@H]([C@@H]4O)OCCCCCN)C)O)C)O)CO)O)O)O is a tetrasaccharide derivative consisting of an alpha-L-rhamnosyl residue glycosidically linked to a 5-aminopentyl group and which carries at O-3 a beta-L-rhamnosyl-(1->4)-beta-D-glucosyl-(1->3)-alpha-L-rhamnosyl trisaccharide unit. It is a tetrasaccharide derivative and a glycoside.
The molecule COc1c(C)c(O)c(C(=O)CC(C)C)c2OC3(O[C@@H](C[C@@H]3Cc12)c1ccc2OCOc2c1)c1ccc2OCOc2c1 COc1c(C)c(O)c(C(=O)CC(C)C)c2OC3(O[C@@H](C[C@@H]3Cc12)c1ccc2OCOc2c1)c1ccc2OCOc2c1 is an  organic heterotricyclic compound found in Hypericum chinense. It has the role of plant metabolite .   It is also related to or classified as phenols  . It is also related to or classified as monomethoxybenzene , organic heterotricyclic compound , benzodioxoles , aromatic ketone .
The molecule CCCCCCCC\C=C/CCCCCCCC(=O)OCC(COP(O)(=O)OCC(O)CO)OC(=O)CCCCCCC\C=C/CCCCCCCC CCCCCCCC\C=C/CCCCCCCC(=O)OCC(COP(O)(=O)OCC(O)CO)OC(=O)CCCCCCC\C=C/CCCCCCCC is A phosphatidylglycerol in which the phosphatidyl acyl groups are both oleoyl. It is also related to or classified as phosphatidylglycerol  .
The molecule CC(=CCC/C(=C\\CC/C(=C\\CC/C(=C\\CC/C(=C\\CC/C(=C\\CC/C(=C\\CC/C(=C\\CC/C(=C/CC/C(=C/COP(=O)([O-])OP(=O)([O-])[O-])/C)/C)/C)/C)/C)/C)/C)/C)/C)C is an orpanophosphate oxoanion that is the trianion of ditrans,polycis-decaprenyl diphosphate. It is a conjugate base of a ditrans,polycis-decaprenyl diphosphate.
The molecule [H][C@]12CC[C@@]3(C)[C@@]([H])(CC[C@@]3(O)CCC(O)=O)[C@]1([H])C=CC1=CC(=O)CC[C@]21C [H][C@]12CC[C@@]3(C)[C@@]([H])(CC[C@@]3(O)CCC(O)=O)[C@]1([H])C=CC1=CC(=O)CC[C@]21C is canrenoic acid. It is a conjugate acid of canrenoate .   It is also related to or classified as 3-oxo-Delta(4) steroid  . It is also related to or classified as monocarboxylic acid , steroid acid .
The molecule CC1=C(C=CC(=C1)OP(=S)(OC)OC)[N+](=O)[O-] is an organic thiophosphate that is O,O-dimethyl O-phenyl phosphorothioate substituted by a methyl group at position 3 and a nitro group at position 4. It has a role as an EC 3.1.1.7 (acetylcholinesterase) inhibitor, an agrochemical, an acaricide, an EC 3.1.1.8 (cholinesterase) inhibitor and an insecticide. It is an organic thiophosphate and a C-nitro compound. It derives from a 4-nitro-m-cresol.
The molecule O([C@H]1O[C@@H]([C@@H](O)[C@H](O[C@H]2O[C@@H]([C@@H](O)[C@H](O)[C@@H]2O)CO)[C@H]1NC(=O)C)CO)[C@H]3[C@H](O)[C@@H](NC(=O)C)[C@@H](O[C@@H]3CO)O O([C@H]1O[C@@H]([C@@H](O)[C@H](O[C@H]2O[C@@H]([C@@H](O)[C@H](O)[C@@H]2O)CO)[C@H]1NC(=O)C)CO)[C@H]3[C@H](O)[C@@H](NC(=O)C)[C@@H](O[C@@H]3CO)O is an amino trisaccharide consisting of alpha-D-mannopyranose, 2-acetamido-2-deoxy-alpha-D-glucopyranose and 2-acetamido-2-deoxy-beta-D-glucopyranose residues joined in sequence by (1->3) and (1->4) glycosidic bonds. Its functional parent is alpha-D-Manp-(1->3)-alpha-D-GlcpNAc . Its functional parent is alpha-D-GlcpNAc-(1->4)-beta-D-GlcpNAc . It is also related to or classified as acetamides , glucosamine oligosaccharide , amino trisaccharide .
The molecule [Cu] [Cu] is copper atom. It has the role of micronutrient . It has the role of Escherichia coli metabolite . It is also related to or classified as copper group element atom , metal allergen .
The molecule CCCCCCCCCCCCCCCCOP(O)(=O)OCCCCCCCCCCCCCCCC CCCCCCCCCCCCCCCCOP(O)(=O)OCCCCCCCCCCCCCCCC is the dihexadecyl ester of phosphoric acid. It is also related to or classified as dialkyl phosphate .
The molecule CN(C(=[SH+])C1=CC=CC=C1)[N-]C(=O)CC(=O)[N-]N(C)C(=[SH+])C2=CC=CC=C2.[Cu] is the copper coordination entity formed from elesclomol by coordination to copper via the thiocarbonyl and hydrazino groups. It has a role as an apoptosis inducer and an antineoplastic agent. It contains an elesclomol.
The molecule OC1CN[C@@H](C1)C(O)=O OC1CN[C@@H](C1)C(O)=O is the L-stereoisomer of 4-hydroxyproline. It is a conjugate acid of 4-hydroxy-L-prolinate . It is also related to or classified as 4-hydroxyproline  . It is also related to or classified as non-proteinogenic L-alpha-amino acid , L-proline derivative .
The molecule CC(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)[C@H](C(=O)NCCC(=O)NCCSC(=O)COC4=CC=CC=C4)O is an acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of phenoxyacetic acid. It derives from a phenoxyacetic acid.
The molecule O(C1=C(O)C(OC)=CC(=C1)C=C)C O(C1=C(O)C(OC)=CC(=C1)C=C)C is 4-Vinylsyringol. It is also related to or classified as phenols  . It is also related to or classified as methoxybenzenes .
The molecule C[C@@H]1C[C@@H]([C@@]2([C@@H]([C@@]1(C)[C@@H]3C[C@H]4C=CO[C@H]4O3)CC[C@@H]([C@]25CO5)OC(=O)C(C)C)COC(=O)C)OC(=O)C is a diterpenoid isolated from the aerial parts of Ajuga bracteosa. It has a role as a plant metabolite. It is a furofuran, an acetate ester, a diterpenoid, a spiro-epoxide and a cyclic acetal.
The molecule O=I(=O)([O-])([O-])[O-] O=I(=O)([O-])([O-])[O-] is (TBPY-5)-pentaoxoiodate(3-). It is also related to or classified as pentaoxoiodate(3-)  . It is also related to or classified as trivalent inorganic anion .
The molecule [O-]C(=O)C1CSCCN1 [O-]C(=O)C1CSCCN1 is the conjugate base of thiomorpholine-3-carboxylic acid. It is also related to or classified as monocarboxylic acid anion  . It is also related to or classified as thiomorpholines .
The molecule CCC(C)C(=O)c1c(O)cc(OC)c(C)c1O CCC(C)C(=O)c1c(O)cc(OC)c(C)c1O is Aspidinol D. It has the role of metabolite . Its functional parent is phloroglucinol . It is also related to or classified as carboxylic ester  .
The molecule C(CCCCC[C@H]([C@H](C)[NH3+])[NH3+])(=O)[O-] C(CCCCC[C@H]([C@H](C)[NH3+])[NH3+])(=O)[O-] is (7R,8S)-7,8-diammoniononanoate. It is a conjugate acid of (7R,8S)-7,8-diaminononanoic acid . It is also related to or classified as 7,8-diaminononanoate cation  .
The molecule OS(S)=O OS(S)=O is sulfurothious S-acid. It is a conjugate acid of thiosulfite(1-) . It is also related to or classified as thiosulfurous acid .
The molecule C[C@H]1CN([C@@H](COC2=C(C=C(C=C2)NC(=O)C)C(=O)N(C[C@@H]1OC)C)C)C(=O)C3=CC=CC=C3 C[C@H]1CN([C@@H](COC2=C(C=C(C=C2)NC(=O)C)C(=O)N(C[C@@H]1OC)C)C)C(=O)C3=CC=CC=C3 is N-[(4R,7S,8R)-5-benzoyl-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]acetamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O[C@@H]2[C@H](O[C@@H]([C@H]([C@H]2O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O[C@H]5[C@@H]([C@H]([C@H]([C@H](O5)CO)O)O)O)O)O)O)NC(=O)C)O[C@H]6[C@@H]([C@H](O[C@H]([C@H]6O)O[C@@H]7[C@H](O[C@H]([C@@H]([C@H]7O)NC(=O)C)O[C@@H]8[C@H](OC([C@@H]([C@H]8O)NC(=O)C)O)CO)CO)CO[C@@H]9[C@H]([C@H]([C@@H]([C@H](O9)CO)O)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)O)O)O)NC(=O)C)O)CO)CO)O[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)O)O)O is an amino oligosaccharide (tetradecasaccharide) consisting of three trisaccharide units, each consisting of two beta-D-galactose residues and one N-acetyl-beta-D-glucosamine residue all linked (1->4), two of the units of which are linked (1->2) and (1->4) to a single alpha-D-mannose residue and the other linked (1->2) to another alpha-D-mannose residue, with the two mannose residues being linked (1->3) and (1->6) to the mannose residue of an amino trisaccharide comprising beta-D-mannose, N-acetyl-beta-D-glucosamine and N-acetyl-D-glucosamine residues all linked (1->4). It is an amino oligosaccharide and a glucosamine oligosaccharide.
The molecule C[C@@H]1CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(C[C@H]([C@@H]5[C@@]4(C[C@H]([C@@H]([C@@]5(C)CO)O)O)C)O)C)[C@@H]2[C@H]1C)C)C(=O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O[C@H]8[C@@H]([C@@H]([C@H]([C@@H](O8)C)O)O)O)O)O)O)O)O is a triterpenoid saponin that is a trisaccharide derivative of madecassic acid. Isolated from Centella asiatica, it exhibits anti-inflammatory, antioxidant and antirheumatic activities. It has a role as an antioxidant, an anti-inflammatory agent, an antirheumatic drug, a vulnerary and a plant metabolite. It is a pentacyclic triterpenoid, a trisaccharide derivative, a carboxylic ester and a triterpenoid saponin. It derives from a madecassic acid. It derives from a hydride of an ursane.