mingxuzhang/ChEBI-Augmented huggingface dataset:
The molecule <smiles>COc1cc(ccc1O)-c1cc(=O)c2c(O)c([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O[C@@H]3OC[C@H](O)[C@H](O)[C@H]3O)c(O)cc2o1</smiles> is A trihydroxyflavone that is isoscoparin glycosylated at position 2'' on the glucosyl ring by an alpha-L-arabinopyranosyl residue. It has the role of metabolite. Its functional parent is isoscoparin.  It is also related to or classified as monomethoxyflavone . It is also related to or classified as C-glycosyl compound, trihydroxyflavone, disaccharide derivative.
The molecule <smiles>N\C(Sc1ccccc1)=C(C#N)/C(C#N)=C(\N)Sc1ccccc1</smiles> is A dinitrile that is succinonitrile in which the methylene hydrogens at positions 2 and 3 are substituted by amino(phenylsulfanyl)methylidene groups. It acts as an inhibitor of MEK (mitogen activated protein kinase kinase). It has the role of protein kinase inhibitor.  It is also related to or classified as enamine . It is also related to or classified as dinitrile . It is also related to or classified as aryl sulfide.
The molecule <smiles>COC(=O)c1cc2cc(ccc2n1Cc1ccc(Cl)cc1)S(C)(=O)=O</smiles> is an indolyl carboxylate ester that is methyl 1H-indole-2-carboxylate substituted by a 4-chlorobenzyl group at position 1 and a methylsulfonyl group at position 5. It acts as a selective inhibitor of cyclooxygenase 2. It has the role of cyclooxygenase 2 inhibitor. It is also related to or classified as methyl ester . It is also related to or classified as sulfone . It is also related to or classified as indolyl carboxylate ester, monochlorobenzenes.
The molecule <smiles>CC(=O)N[C@@H]1[C@@H](O)[C@@H](O)[C@@H](CO)O[C@H]1O[C@H]1[C@H](O)[C@@H](CO)O[C@@H](O[C@H]2[C@H](O)[C@H](O)[C@@H](O)O[C@@H]2CO)[C@@H]1NC(C)=O</smiles> is A linear amino trisaccharide consisting of a chain of  N-acetyl-beta-D-glucosamine,  N-acetyl-beta-D-galactosamine and alpha-D-mannose residues linked sequentially (1->3) and (1->4). It is also related to or classified as galactosamine oligosaccharide, glucosamine oligosaccharide, amino trisaccharide.
The molecule <smiles>CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1O[C@H]1[C@H](O)[C@H](O)[C@@H](O)O[C@@H]1CO</smiles> is an amino disaccharide comprised of N-acetyl-beta-D-glucosamine linked (1->4) to D-mannose. It is also related to or classified as acetamides, amino disaccharide, glucosamine oligosaccharide, glycosylmannose derivative.
The molecule <smiles>CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OC[C@@H](O)CO)OC(=O)CCCCCCC\C=C/CCCCCCCC</smiles> is A 1,2-diacyl-sn-glycero-3-phospho-(1'-sn-glycerol) in which both acyl groups are specified as oleoyl. Its functional parent is oleic acid. It is a conjugate acid of 1,2-dioleoyl-sn-glycero-3-phospho-(1'-sn-glycerol)(1-). It is also related to or classified as 1,2-diacyl-sn-glycero-3-phospho-(1'-sn-glycerol) .
The molecule <smiles>Cc1nc(=O)c2cccc(O)c2[nH]1</smiles> is A member of the class of  quinazolines that is quinazolin-4(1H)-one substituted by a hydroxy group at position 8 and a methyl group at position 2. It has been shown to exhibit inhibitory activity against  poly(ADP-ribose) polymerase. It has the role of EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor. It is also related to or classified as phenols . It is also related to or classified as quinazolines.
The molecule <smiles>CC(C)=CCC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC1=C(O)C(C)=CC(O)=C1</smiles> is A polyprenylhydroquinone that is 2-methylbenzene-1,4-diol substituted by a all-trans-nonaprenyl group at position 6. It is also related to or classified as polyprenylhydroquinone, dihydroxytoluene.
The molecule <smiles>CC(C)CCCC(C)CCCC(C)CCC\C(C)=C\Cc1cc(O)c(C)c(C)c1O</smiles> is A member of the class of  hydroquinones that is  2,3-dimethylbenzene-1,4-diol substituted by a phytyl group at position 6. It is also related to or classified as hydroquinones .
The molecule <smiles>CC(C)=CCC\C(C)=C\CC\C(C)=C\CC\C(C)=C\Cc1cc(O)cc(C)c1O</smiles> is A polyprenylhydroquinone that is 2-methylbenzene-1,4-diol substituted by a geranylgeranyl group at position 6.  It is also related to or classified as hydroquinones . It is also related to or classified as polyprenylhydroquinone.
The molecule <smiles>CCCN1CCC[C@@H]2Cc3[nH]ncc3C[C@@H]12</smiles> is A pyrazoloquinoline that is  (4aR,8aR)-4,4a,5,6,7,8,8a,9-octahydro-1H-pyrazolo[3,4-g]quinoline substituted by a propyl group at position 5. It acts as a dopamine agonist. It has the role of dopamine agonist. It is also related to or classified as pyrazoloquinoline.
The molecule <smiles>CSCCC(N)C(=O)NO</smiles> is A hydroxamic acid that is the amide of methionine hydroxylated at the amidic nitrogen. It has the role of EC 6.1.1.* (ligases forming aminoacyl tRNA and related compounds) inhibitor. Its functional parent is methionine. It is also related to or classified as hydroxamic acid, methionine derivative.
The molecule <smiles>CSc1ccc(cc1)\C=C1\C(C)=C(CC(O)=O)c2cc(F)ccc12</smiles> is an  aryl sulfide that is a metabolite of  sulindac. A non-steroidal anti-inflammatory drug, which also has anticancer activity. It has the role of non-steroidal anti-inflammatory drug. It has the role of antineoplastic agent. It has the role of apoptosis inducer. Its functional parent is sulindac.   It is also related to or classified as organofluorine compound . It is also related to or classified as monocarboxylic acid, aryl sulfide.
The molecule <smiles>C(=C/C=1C=C(CSC2=NC=3C=CC=CC3S2)C(=C(C1)OC)O)(\C(=O)N)/C#N</smiles> is an organic sulfide that consists of  1,3-benzothiazole-2-thiol in which the hydrogen attached to the sulfur atom is replaced by a 5-[(1E)-3-amino-2-cyano-3-oxoprop-1-en-1-yl]-2-hydroxy-3-methoxybenzyl group. It acts as an  epidermal growth factor receptor antagonist. It has the role of epidermal growth factor receptor antagonist. Its functional parent is 1,3-benzothiazole-2-thiol. It is also related to or classified as primary carboxamide . It is also related to or classified as organic sulfide . It is also related to or classified as nitrile . It is also related to or classified as phenols .   It is also related to or classified as enamide . It is also related to or classified as aromatic ether, benzothiazoles.
The molecule <smiles>O=C(CC(=O)c1ccccc1)c1ccccc1</smiles> is A beta-diketone that is acetylacetone (acac) in which both methyl groups have been replaced by phenyl groups. It is a minor constituent of the root extract of licorice (Glycyrrhiza glabra) and exhibits antimutagenic and anticancer effects. It has the role of metabolite. It has the role of antineoplastic agent. It has the role of antimutagen. It is also related to or classified as beta-diketone, aromatic ketone.
The molecule <smiles>COc1cc(ccc1O)-c1cc(=O)c2c(O)cc(O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)cc2o1</smiles> is A glycosyloxyflavone that is chrysoeriol in which the hydroxyl hydrogen at position 7 is replaced by a gentiobiosyl moiety. It has the role of metabolite. Its functional parent is 4',5,7-trihydroxy-3'-methoxyflavone. It is also related to or classified as gentiobioside . It is also related to or classified as monomethoxyflavone .  It is also related to or classified as glycosyloxyflavone . It is also related to or classified as dihydroxyflavone, disaccharide derivative.
The molecule <smiles>CC(C)CCCC(C)CCCC(C)CCC\C(C)=C\Cc1cc(O)cc(C)c1O</smiles> is A member of the class of hydroquinones that is 2-methylbenzene-1,4-diol substituted by a phytyl group at position 6. It is also related to or classified as hydroquinones . It is also related to or classified as dihydroxytoluene.
The molecule <smiles>Oc1ccc(cc1)C(=O)CC(=O)c1c(O)cc(O)cc1O</smiles> is A beta-diketone that is dibenzoylmethane with hydroxy substituents at C-4 of one phenyl group and at C-2, -4 and -6 of the other. It has the role of antineoplastic agent. Its functional parent is dibenzoylmethane. It is also related to or classified as beta-diketone, aromatic ketone.
The molecule <smiles>COc1cc(\C=C\C(=O)OC[C@H]2OC(Oc3cc4oc(cc(=O)c4c(O)c3[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)-c3ccc(O)cc3)[C@H](O)[C@@H](O)[C@@H]2O)cc(OC)c1O</smiles> is A glycosyloxyflavone that is isovitexin in which the hydroxyl hydrogen at position 7 is replaced by a 6-sinapoylglucosyl residue. It has the role of metabolite. Its functional parent is trans-sinapic acid. Its functional parent is isovitexin.    It is also related to or classified as glycosyloxyflavone . It is also related to or classified as C-glycosyl compound, cinnamate ester, dihydroxyflavone.
The molecule <smiles>CC(C)=CCC\C(C)=C\CC\C(C)=C\CC\C(C)=C\Cc1cc(O)c(C)c(C)c1O</smiles> is A  polyprenylhydroquinone that is 2,3-dimethylbenzene-1,4-diol substituted by a geranylgeranyl group at position 6.  It is also related to or classified as hydroquinones . It is also related to or classified as polyprenylhydroquinone.
The molecule <smiles>[O-][N+](=O)c1ccc(cc1)-n1nc(n[n+]1-c1ccc(I)cc1)-c1ccccc1</smiles> is an organic cation that is the cationic component of iodonitrotetrazolium violet. It is also related to or classified as organic cation.
The molecule <smiles>COc1cc(\C=C\C(=O)OC[C@H]2O[C@@H](O[C@@H]3[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]3c3c(O)cc4oc(cc(=O)c4c3O)-c3ccc(O)cc3)[C@H](O)[C@@H](O)[C@H]2O)cc(OC)c1O</smiles> is A disaccharide derivative that is isovitexin substituted at position 2'' on the glucose ring by a 6-O-sinapoyl-beta-D-glucosyl residue. It has the role of metabolite. Its functional parent is trans-sinapic acid. Its functional parent is isovitexin. It is also related to or classified as C-glycosyl compound, trihydroxyflavone, cinnamate ester, disaccharide derivative.
The molecule <smiles>Nc1n[nH]c(N)n1</smiles> is an aromatic amine that is 1,2,4-triazole substituted at positions 3 and 5 by amino groups. It has the role of antineoplastic agent. It has the role of DNA synthesis inhibitor. It has the role of EC 1.17.4.1 (ribonucleoside-diphosphate reductase) inhibitor. It is also related to or classified as aromatic amine, triazoles.
The molecule <smiles>[H][C@]1(O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)Oc1c[nH]c2ccc(Br)c(Cl)c12</smiles> is an indolyl carbohydrate that is the beta-D-glucoside of 3-hydroxy-1H-indole in which the indole moiety is substituted at positions 4 and 5 by chlorine and bromine, respectively. It is used to test for the presence of an enzyme, beta-glucosidase, which cleaves the glycosidic bond to give 5-bromo-4-chloro-3-hydroxy-1H-indole, which immediately dimerises to give an intensely blue product. It has the role of chromogenic compound. Its functional parent is indoxyl. It is also related to or classified as beta-D-glucoside .  It is also related to or classified as organochlorine compound . It is also related to or classified as organobromine compound . It is also related to or classified as indolyl carbohydrate, D-aldohexose derivative.
The molecule <smiles>NCCCC[C@H](NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CN)C(O)=O</smiles> is A tripeptide composed of glycine, L-histidine and L-lysine residues joined in sequence. It has the role of metabolite. It has the role of chelator. It has the role of hepatoprotective agent. It has the role of vulnerary. It is also related to or classified as tripeptide .
The molecule <smiles>COc1cc(O)c(O)cc1\C=C\C(=O)OC[C@H]1OC(Oc2cc3oc(cc(=O)c3c(O)c2[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)-c2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O</smiles> is A glycosyloxyflavone that is isovitexin in which the hydroxyl hydrogen at position 7 is replaced by a 6-(6-methoxycaffeoyl)glucosyl residue. It has the role of metabolite. Its functional parent is trans-caffeic acid. Its functional parent is isovitexin.    It is also related to or classified as glycosyloxyflavone . It is also related to or classified as C-glycosyl compound, cinnamate ester, dihydroxyflavone.
The molecule <smiles>CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC\C(C)=C\COP([O-])(=O)OP([O-])([O-])=O</smiles> is (E)-3,7,11,15-tetramethylhexadec-2-en-1-yl diphosphate(3-) in which both stereocentres have (R)-configuration. It is also related to or classified as (E)-3,7,11,15-tetramethylhexadec-2-en-1-yl diphosphate(3-) .
The molecule <smiles>COC1=C(OC)C=C2C(NC3=CC(Cl)=CC=C3)=NC=NC2=C1</smiles> is A member of the class of  quinazolines that is quinazoline substituted by methoxy groups at positions 6 and 7 and a (3-chlorophenyl)nitrilo group at position 4. It acts as an  epidermal growth factor receptor antagonist. It has the role of geroprotector. It has the role of antiviral agent. It has the role of antineoplastic agent. It has the role of epidermal growth factor receptor antagonist. It is also related to or classified as aromatic ether, quinazolines, monochlorobenzenes.
The molecule <smiles>OC[C@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]2c2c(O)cc3oc(cc(=O)c3c2O)-c2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O</smiles> is A disaccharide derivative that is isovitexin substituted at position 2'' on the glucose ring by a beta-D-glucosyl residue. It has the role of metabolite. Its functional parent is isovitexin. It is also related to or classified as C-glycosyl compound, trihydroxyflavone, disaccharide derivative.
The molecule <smiles>C[C@@H]1O[C@@H](O[C@H]2[C@@H](O[C@H](CO)[C@@H](O)[C@@H]2O)Oc2cc3oc(cc(=O)c3c(O)c2[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)-c2ccc(O)cc2)[C@H](O)[C@H](O)[C@H]1O</smiles> is A C-glycosyl compound that is isovitexin in which the hydroxyl hydrogen at position 7 is replaced by an alpha-L-rhamnosyl-(1->2)-beta-D-glucosyl moiety. It has the role of metabolite. Its functional parent is isovitexin.   It is also related to or classified as glycosyloxyflavone . It is also related to or classified as C-glycosyl compound, dihydroxyflavone, disaccharide derivative.
The molecule <smiles>C(C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(N1[C@@H](CCC1)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(N2[C@@H](CCC2)C(N3[C@@H](CCC3)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(N4[C@@H](CCC4)C(=O)N[C@H](C(=O)O)CCCNC(=N)N)=O)CCC(=O)N)CC(C)C)CCCCN)C)=O)=O)CCCCN)CCCCN)CO)CCC(=O)O)CCCCN)CCCNC(N)=N)CCC(=O)N)CCC(=O)N)C(C)C)CCCNC(N)=N)CCC(=O)N)CC=5N=CNC5)CCC(=O)O)=O)CO)CC(C)C)CC=6C=CC=CC6)COC(=O)CCCCCCC)CO)N</smiles> is A 28-membered appetite-stimulating polypeptide consisting of Gly, Ser, Ser(octanoyl), Phe, Leu, Ser, Pro, Glu, His, Gln, Arg, Val, Gln, Gln, Arg, Lys, Glu, Ser, Lys, Lys, Pro, Pro, Ala, Lys, Leu, Gln, Pro and Arg residues joined in sequence. The O-n-octanoylation of the side-chain hydroxy group of serine-3 (Ser3) is essential for ghrelin's activity. It has the role of antineoplastic agent. It has the role of appetite enhancer. It has the role of antiatherogenic agent. It has the role of apoptosis inducer. It has the role of human metabolite. It is also related to or classified as polypeptide . It is also related to or classified as peptide hormone.
The molecule <smiles>OC[C@H]1O[C@H]([C@H](O[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O)c1c(O)cc2oc(cc(=O)c2c1O)-c1ccc(O)cc1</smiles> is isovitexin 2''-O-arabinoside. It has the role of metabolite. Its functional parent is isovitexin.  It is also related to or classified as arabinoside . It is also related to or classified as C-glycosyl compound, trihydroxyflavone, disaccharide derivative.
The molecule <smiles>N[C@@H](CCCNC(N)=N)C(=O)NO</smiles> is an arginine derivative obtained by formal condensation of the carboxy group of L-arginine with the amino group of hydroxylamine. It is also related to or classified as guanidines, hydroxamic acid, L-arginine derivative.
The molecule <smiles>CSCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(O)=O)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CCC(N)=O)C(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O</smiles> is one of the primary forms of gastrin that is a 34-membered peptide consisting of Gln, Leu, Gly, Pro, Gln, Gly, Pro, Pro, His, Leu, Val, Ala, Asp, Pro, Ser, Lys, Lys, Gln, Gly, Pro, Trp, Leu, Glu, Glu, Glu, Glu, Glu, Ala, Tyr, Gly, Trp, Met, Asp and Phe residues joined in sequence. It is also related to or classified as gastrin.
The molecule <smiles>OC[C@H]1O[C@@H](Oc2cc3oc(cc(=O)c3c(O)c2[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)-c2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O</smiles> is A C-glycosyl compound that is isovitexin in which the hydroxyl hydrogen at position 7 is replaced by a beta-D-glucosyl residue. It has the role of metabolite. Its functional parent is isovitexin.   It is also related to or classified as glycosyloxyflavone . It is also related to or classified as C-glycosyl compound, dihydroxyflavone, monosaccharide derivative.
The molecule <smiles>[Cl-].[O-][N+](=O)c1ccc(cc1)-n1nc(n[n+]1-c1ccc(I)cc1)-c1ccccc1</smiles> is an organic chloride salt having iodonitrotetrazolium as the counterion. It has the role of histological dye. It is also related to or classified as organic chloride salt.
The molecule <smiles>CSCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1CCC(=O)N1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O</smiles> is one of the primary forms of gastrin that is a 17-membered peptide consisting of Glp, Gly, Pro, Trp, Leu, Glu, Glu, Glu, Glu, Glu, Ala, Tyr, Gly, Trp, Met, Asp and Phe-NH2 residues joined in sequence. It has the role of antineoplastic agent. It is also related to or classified as gastrin.
The molecule <smiles>NCC(=O)NO</smiles> is A hydroxamic acid obtained by formal condensation of the carboxy group of glycine with the amino group of hydroxylamine. It has the role of EC 1.4.4.2 [glycine dehydrogenase (aminomethyl-transferring)] inhibitor. It is also related to or classified as glycine derivative, hydroxamic acid.
The molecule <smiles>O([C@@H](CO)COC(CCCCCCC/C=C\CCCCCCCC)=O)C(CCCCCCCCC)=O</smiles> is A 1,2-diacyl-sn-glycerol where oleoyl and decanoyl are the 1- and 2-acyl groups, respectively. Its functional parent is oleic acid. It is also related to or classified as 1,2-diacyl-sn-glycerol . It is also related to or classified as decanoate ester .
The molecule <smiles>CCCCCCCCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCCC\C=C/CCCCCCCC</smiles> is A 1,2-diacyl-sn-glycerol where oleoyl and stearoyl are the 1- and 2-acyl groups respectively. Its functional parent is oleic acid. Its functional parent is octadecanoic acid. It is also related to or classified as 1,2-diacyl-sn-glycerol .
The molecule <smiles>COc1cc(ccc1O)-c1cc(=O)c2c(O)c([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)cc2o1</smiles> is A C-glycosyl compound that is isoscoparin in which the hydroxyl hydrogen at position 7 is replaced by an alpha-L-rhamnosyl-(1->2)-beta-D-glucosyl moiety. It has the role of metabolite. Its functional parent is isoscoparin.  It is also related to or classified as monomethoxyflavone .  It is also related to or classified as glycosyloxyflavone . It is also related to or classified as C-glycosyl compound, dihydroxyflavone, disaccharide derivative.
The molecule <smiles>CCCCCCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCCC\C=C/CCCCCCCC</smiles> is A 1,2-diacyl-sn-glycerol in which the 1- and 2-acyl groups are specified as oleoyl and palmitoyl respectively. It is also related to or classified as 1,2-diacyl-sn-glycerol . It is also related to or classified as 1-oleoyl-2-palmitoylglycerol .
The molecule <smiles>CCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCCC\C=C/CCCCCCCC</smiles> is A 1,2-diacyl-sn-glycerol where oleoyl and lauroyl are the 1- and 2-acyl groups respectively. Its functional parent is oleic acid. It is also related to or classified as 1,2-diacyl-sn-glycerol . It is also related to or classified as dodecanoate ester .
The molecule <smiles>CSCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O</smiles> is one of the primary forms of gastrin that is a 14-membered peptide consisting of Trp, Leu, Glu, Glu, Glu, Glu, Glu, Ala, Tyr, Gly, Trp, Met, Asp and Phe residues joined in sequence. It is also related to or classified as peptidyl amide, gastrin.
The molecule <smiles>OP(O)(=O)Oc1cccc2ccccc12</smiles> is an aryl phosphate resulting from the formal condensation of phosphoric acid with 1 mol eq. of 1-naphthol. It is a substrate for phosphatase. It is also related to or classified as aryl phosphate.
The molecule <smiles>CCCCCCCC\C=C/CCCCCCCC(=O)O[C@@H](CO)COC(=O)CCC</smiles> is A 1,2-diacyl-sn-glycerol where butyryl and oleoyl are the 1- and 2-acyl groups respectively. Its functional parent is oleic acid. Its functional parent is butyric acid. It is also related to or classified as 1,2-diacyl-sn-glycerol . It is also related to or classified as 1-butanoyl-2-oleoylglycerol . It is also related to or classified as butyrate ester .
The molecule <smiles>CCCCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCCC\C=C/CCCCCCCC</smiles> is A 1,2-diacyl-sn-glycerol where oleoyl and myristoyl are the 1- and 2-acyl groups respectively. Its functional parent is oleic acid. It is also related to or classified as 1,2-diacyl-sn-glycerol . It is also related to or classified as tetradecanoate ester .
The molecule <smiles>CCCCCCCCCCCC(=O)OC(CO)CO</smiles> is A 2-monoglyceride where the acyl group is dodecanoyl (lauroyl). It is also related to or classified as 2-monoglyceride . It is also related to or classified as dodecanoate ester .
The molecule <smiles>CCCCCCCCCCCCCCCC(=O)OC(CO)CO</smiles> is A 2-monoglyceride where the acyl group is hexadecanoyl (palmitoyl). It has the role of algal metabolite. Its functional parent is hexadecanoic acid. It is also related to or classified as 2-acylglycerol 16:0 .
The molecule <smiles>CCCCC\C=C/C\C=C/CCCCCCCC(=O)OC(CO)CO</smiles> is A 2-monoglyceride where linoleoyl forms the 2-acyl group. Its functional parent is linoleic acid. It is also related to or classified as 2-acylglycerol 18:2 .
The molecule <smiles>N[C@H](CCC(=O)N[C@H](CCC(=O)N[C@H](CCC(=O)N[C@H](CCC(=O)N[C@H](CCC(O)=O)C(O)=O)C(O)=O)C(O)=O)C(O)=O)C(O)=O</smiles> is an oligopeptide comprising five D-glutamic acid residues linked by peptidic bonds between the amino and gamma-carboxy groups. Its functional parent is D-glutamic acid. It is also related to or classified as oligopeptide .
The molecule <smiles>FC(F)(F)Oc1ccc(NN=C(C#N)C#N)cc1</smiles> is A hydrazone that is hydrazonomalononitrile in which one of the hydrazine hydrogens is substituted by a p-trifluoromethoxyphenyl group. It has the role of geroprotector. It has the role of ATP synthase inhibitor. It has the role of ionophore. Its functional parent is hydrazonomalononitrile. It is also related to or classified as nitrile .  It is also related to or classified as organofluorine compound . It is also related to or classified as hydrazone . It is also related to or classified as aromatic ether.
The molecule <smiles>CCCCCCCCCCCCCC(=O)OC(CO)CO</smiles> is A 2-monoglyceride where the acyl group is tetradecanoyl (myristoyl). It is also related to or classified as 2-monoglyceride . It is also related to or classified as monoacylglycerol 14:0 . It is also related to or classified as tetradecanoate ester .
The molecule <smiles>C[C@@H](O)[C@H](C)O</smiles> is the meso diastereoisomer of butane-2,3-diol. It has the role of metabolite. It is also related to or classified as butane-2,3-diol .