mingxuzhang/ChEBI-Augmented huggingface dataset:
The molecule <smiles>Cc1cn([C@H]2C[C@H](O)[C@@H](COP(O)(=O)O[C@H]3C[C@@H](O[C@@H]3COP(O)(=O)O[C@H]3C[C@@H](O[C@@H]3COP(O)(=O)O[C@H]3C[C@@H](O[C@@H]3COP(O)(=O)O[C@H]3C[C@@H](O[C@@H]3COP(O)(=O)O[C@H]3C[C@@H](O[C@@H]3COP(O)(=O)O[C@H]3C[C@@H](O[C@@H]3COP(O)(=O)O[C@H]3C[C@@H](O[C@@H]3COP(O)(=O)O[C@H]3C[C@@H](O[C@@H]3COP(O)(=O)O[C@H]3C[C@@H](O[C@@H]3COP(O)(=O)O[C@H]3C[C@@H](O[C@@H]3COP(O)(=O)O[C@H]3C[C@@H](O[C@@H]3CO)n3cc(C)c(=O)[nH]c3=O)n3cc(C)c(=O)[nH]c3=O)n3cc(C)c(=O)[nH]c3=O)n3cc(C)c(=O)[nH]c3=O)n3cc(C)c(=O)[nH]c3=O)n3cc(C)c(=O)[nH]c3=O)n3cc(C)c(=O)[nH]c3=O)n3cc(C)c(=O)[nH]c3=O)n3cc(C)c(=O)[nH]c3=O)n3cc(C)c(=O)[nH]c3=O)n3cc(C)c(=O)[nH]c3=O)O2)c(=O)[nH]c1=O</smiles> is an oligonucleotide comprised of twelve thymidine residues connected via 3'->5' phosphodiester linkages. It is also related to or classified as oligonucleotide .
The molecule <smiles>COc1cccc(c1)[C@@]1(O)CCCC[C@@H]1C[NH+](C)C</smiles> is an organic cation obtained by protonation of the tertiary amino group of (R,R)-tramadol. It is a conjugate acid of (R,R)-tramadol. It is also related to or classified as organic cation, ammonium ion derivative.
The molecule <smiles>COc1cccc(c1)[C@]1(O)CCCC[C@H]1CN(C)C</smiles> is A 2-[(dimethylamino)methyl]-1-(3-methoxyphenyl)cyclohexanol in which both stereocentres have S-configuration; the (S,S)-enantiomer of the racemic opioid analgesic tramadol, it exhibits ten-fold lower analgesic potency than the (R,R)-enantiomer. It has the role of opioid analgesic. It has the role of adrenergic uptake inhibitor. It has the role of serotonergic antagonist. It has the role of muscarinic antagonist. It has the role of nicotinic antagonist. It has the role of serotonin uptake inhibitor. It has the role of antitussive. It has the role of mu-opioid receptor agonist. It has the role of kappa-opioid receptor agonist. It has the role of NMDA receptor antagonist. It has the role of delta-opioid receptor agonist. It has the role of capsaicin receptor antagonist. It is also related to or classified as 2-[(dimethylamino)methyl]-1-(3-methoxyphenyl)cyclohexanol .
The molecule <smiles>O[C@H]1[C@H](Oc2cc(O)cc3oc(-c4ccc(O)cc4)c(O)c(=O)c23)O[C@@H]([C@@H](O)[C@@H]1O)C(O)=O</smiles> is A kaempferol O-glucuronide that is kaempferol with a beta-D-glucosiduronic acid residue attached at the 5-position. It has the role of metabolite. It is also related to or classified as trihydroxyflavone, kaempferol O-glucuronide.
The molecule <smiles>O[C@H]1[C@H](Oc2cc(O)cc3oc(cc(=O)c23)-c2ccc(O)c(O)c2)O[C@@H]([C@@H](O)[C@@H]1O)C(O)=O</smiles> is A luteolin glucosiduronic acid consisting of luteolin having a beta-D-glucosiduronic acid residue attached at the 5-position. It has the role of metabolite. It is also related to or classified as luteolin O-glucuronoside, trihydroxyflavone.
The molecule <smiles>O[C@H]1[C@H](Oc2c(oc3cc(O)cc(O)c3c2=O)-c2ccc(O)cc2)O[C@@H]([C@@H](O)[C@@H]1O)C(O)=O</smiles> is A kaempferol O-glucuronide that is kaempferol with a beta-D-glucosiduronic acid residue attached at the 3-position. It has the role of metabolite. It is also related to or classified as trihydroxyflavone, kaempferol O-glucuronide.
The molecule <smiles>CCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC</smiles> is A 1,2-diacyl-sn-glycerol in which the acyl groups at positions 1 and 2 are specifed as stearoyl and arachidonoyl respectively. Its functional parent is arachidonic acid. Its functional parent is octadecanoic acid. It is also related to or classified as 1,2-diacyl-sn-glycerol .
The molecule <smiles>CC1(C)NC(=O)N(C1=O)c1ccc(c(c1)C(F)(F)F)[N+]([O-])=O</smiles> is nilutamide. It has the role of androgen antagonist. It has the role of antineoplastic agent. It is also related to or classified as C-nitro compound, imidazolidinone, (trifluoromethyl)benzenes.
The molecule <smiles>COc1cccc(c1)[C@@]1(O)CCCC[C@@H]1CN(C)C</smiles> is A 2-[(dimethylamino)methyl]-1-(3-methoxyphenyl)cyclohexanol in which both stereocentres have R-configuration; the (R,R)-enantiomer of the racemic opioid analgesic tramadol, it exhibits ten-fold higher analgesic potency than the (S,S)-enantiomer. It has the role of metabolite. It has the role of opioid analgesic. It has the role of adrenergic uptake inhibitor. It has the role of serotonergic antagonist. It has the role of muscarinic antagonist. It has the role of nicotinic antagonist. It has the role of serotonin uptake inhibitor. It has the role of antitussive. It has the role of mu-opioid receptor agonist. It has the role of kappa-opioid receptor agonist. It has the role of NMDA receptor antagonist. It has the role of delta-opioid receptor agonist. It has the role of capsaicin receptor antagonist. It is also related to or classified as 2-[(dimethylamino)methyl]-1-(3-methoxyphenyl)cyclohexanol .
The molecule <smiles>O[C@H]1[C@H](Oc2cc(O)c3c(c2)oc(-c2ccc(O)cc2)c(O)c3=O)O[C@@H]([C@@H](O)[C@@H]1O)C(O)=O</smiles> is A kaempferol O-glucuronide that is kaempferol with a beta-D-glucosiduronic acid residue attached at the 7-position. It has the role of metabolite. It is also related to or classified as trihydroxyflavone, kaempferol O-glucuronide.
The molecule <smiles>OC[C@@H]1O[C@@H](O[C@@H]2[C@H](Oc3cc(O)cc(O)c3C2=O)c2ccc(O)c(O)c2)[C@H](O)[C@H]1O</smiles> is A flavanone glycoside that is (+)-taxifolin substituted by an alpha-L-arabinofuranosyl residue at position 3. It has the role of metabolite. Its functional parent is (+)-taxifolin. Its functional parent is alpha-L-arabinofuranose. It is also related to or classified as 4'-hydroxyflavanones . It is also related to or classified as alpha-L-arabinofuranoside . It is also related to or classified as tetrahydroxyflavanone, 3'-hydroxyflavanones, monosaccharide derivative, flavanone glycoside.
The molecule <smiles>[NH3+][C@H]([C@@H](O)[C@H](O)[C@H](O)COP([O-])([O-])=O)C([O-])=O</smiles> is an organophosphate oxoanion obtained by deprotonation of the carboxy and phosphate OH groups and protonation of the amino group from D-glucosaminate 6-phosphate. It is also related to or classified as organophosphate oxoanion.
The molecule <smiles>CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC</smiles> is A triacyl-sn-glycerol in which the acyl groups at positions 1, 2 and 3 are specifed as stearoyl, arachidonoyl and oleoyl respectively. Its functional parent is arachidonic acid. Its functional parent is oleic acid. Its functional parent is octadecanoic acid. It is also related to or classified as triacyl-sn-glycerol .
The molecule <smiles>CCCCCCCC\C=C/CCCCCCCC(=O)OCC(O)COC(=O)CCCCCCC\C=C/CCCCCCCC</smiles> is A 1,3-diglyceride with both acyl groups specified as oleoyl. Its functional parent is oleic acid. It is also related to or classified as diacylglycerol (18:1/0:0/18:1) . It is also related to or classified as dioleoylglycerol . It is also related to or classified as 1,3-diglyceride .
The molecule <smiles>O[C@@H]1CO[C@H](O[C@@H]2[C@H](Oc3cc(O)cc(O)c3C2=O)c2ccc(O)c(O)c2)[C@@H](O)[C@@H]1O</smiles> is A flavanone glycoside that is (+)-taxifolin substituted by an alpha-D-arabinopyranosyl residue at position 3. It has the role of metabolite. Its functional parent is (+)-taxifolin. Its functional parent is alpha-D-arabinopyranose. It is also related to or classified as 4'-hydroxyflavanones .     It is also related to or classified as alpha-D-arabinopyranoside . It is also related to or classified as tetrahydroxyflavanone, 3'-hydroxyflavanones, monosaccharide derivative, flavanone glycoside.
The molecule <smiles>O[C@H]1CO[C@@H](O[C@@H]2[C@H](Oc3cc(O)cc(O)c3C2=O)c2ccc(O)c(O)c2)[C@H](O)[C@H]1O</smiles> is A flavanone glycoside that is (+)-taxifolin substituted by an alpha-L-arabinopyranosyl residue at position 3. It has the role of metabolite. Its functional parent is (+)-taxifolin. Its functional parent is alpha-L-arabinopyranose. It is also related to or classified as 4'-hydroxyflavanones . It is also related to or classified as alpha-L-arabinopyranoside . It is also related to or classified as tetrahydroxyflavanone, 3'-hydroxyflavanones, monosaccharide derivative, flavanone glycoside.
The molecule <smiles>O[C@H]1[C@@H](O[C@@H]([C@@H](O)[C@@H]1O)C(O)=O)Oc1cc(ccc1O)-c1cc(=O)c2c(O)cc(O)cc2o1</smiles> is A luteolin glucosiduronic acid consisting of luteolin having a beta-D-glucosiduronic acid residue attached at the 3'-position. It has the role of metabolite. It is also related to or classified as luteolin O-glucuronoside, trihydroxyflavone.
The molecule <smiles>COc1cccc(c1)[C@]1(O)CCCC[C@H]1C[NH+](C)C</smiles> is an organic cation obtained by protonation of the tertiary amino group of (S,S)-tramadol. It is a conjugate acid of (S,S)-tramadol. It is also related to or classified as organic cation, ammonium ion derivative.
The molecule <smiles>O[C@@H]1CO[C@H](O[C@H]2[C@H](Oc3cc(O)cc(O)c3C2=O)c2ccc(O)c(O)c2)[C@@H](O)[C@@H]1O</smiles> is A flavanone glycoside that is (-)-epitaxifolin substituted by an alpha-D-arabinopyranosyl residue at position 3. It has the role of metabolite. Its functional parent is alpha-D-arabinopyranose. Its functional parent is (-)-epitaxifolin. It is also related to or classified as 4'-hydroxyflavanones .     It is also related to or classified as alpha-D-arabinopyranoside . It is also related to or classified as tetrahydroxyflavanone, 3'-hydroxyflavanones, monosaccharide derivative, flavanone glycoside.
The molecule <smiles>COc1cc(ccc1O)-c1oc2cc(O)cc(O)c2c(=O)c1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O</smiles> is A glycosyloxyflavone that is isorhamnetin substituted at position 3 by a beta-D-glucosyl residue. It has the role of metabolite. Its functional parent is beta-D-glucose. Its functional parent is isorhamnetin. It is also related to or classified as beta-D-glucoside . 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 trihydroxyflavone, monosaccharide derivative.
The molecule <smiles>O[C@@H]1CO[C@@H](O[C@H]2[C@@H](Oc3cc(O)cc(O)c3C2=O)c2ccc(O)c(O)c2)[C@H](O)[C@H]1O</smiles> is A flavanone glycoside that is (-)-taxifolin substituted by a beta-D-xylopyranosyl residue at position 3. It has the role of metabolite. Its functional parent is beta-D-xylose. Its functional parent is (-)-taxifolin. It is also related to or classified as 4'-hydroxyflavanones . It is also related to or classified as beta-D-xyloside . It is also related to or classified as tetrahydroxyflavanone, 3'-hydroxyflavanones, monosaccharide derivative, flavanone glycoside.
The molecule <smiles>CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@@H](O)CO</smiles> is A 1-acyl-sn-glycerol in which the acyl group is specified as oleoyl. Its functional parent is oleic acid. It is also related to or classified as 1-acyl-sn-glycerol . It is also related to or classified as 1-oleoylglycerol .
The molecule <smiles>COc1cc(ccc1O)-c1oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c2c(=O)c1O</smiles> is A glycosyloxyflavone that is isorhamnetin substituted at position 7 by a beta-D-glucosyl residue. It has the role of metabolite. Its functional parent is beta-D-glucose. Its functional parent is isorhamnetin. It is also related to or classified as beta-D-glucoside . 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 trihydroxyflavone, monosaccharide derivative.
The molecule <smiles>COc1cc(cc(O)c1O)-c1oc2cc(O)cc(O)c2c(=O)c1O[C@@H]1O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O</smiles> is A glycosyloxyflavone that is 3'-O-methyltricetin substituted by an alpha-L-rhamnopyranosyl residue at position 3. It has the role of metabolite. Its functional parent is alpha-L-rhamnopyranose. Its functional parent is 3'-O-methyltricetin. It is also related to or classified as 3'-methoxyflavones . It is also related to or classified as monomethoxyflavone .  It is also related to or classified as alpha-L-rhamnoside . It is also related to or classified as glycosyloxyflavone . It is also related to or classified as trihydroxyflavone, monosaccharide derivative.
The molecule <smiles>COc1cc(ccc1O)-c1oc2cc(O)cc(O)c2c(=O)c1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O</smiles> is A glycosyloxyflavone that is isorhamnetin substituted at position 3 by a beta-D-galactosyl residue. It has the role of metabolite. Its functional parent is beta-D-galactose. Its functional parent is isorhamnetin. It is also related to or classified as monomethoxyflavone .  It is also related to or classified as beta-D-galactoside . It is also related to or classified as glycosyloxyflavone . It is also related to or classified as trihydroxyflavone, monosaccharide derivative.
The molecule <smiles>COCCOC(=O)C1=C(C)NC(C)=C(C1c1cccc(c1)[N+]([O-])=O)C(=O)OC(C)C</smiles> is A dihydropyridine that is 1,4-dihydropyridine which is substituted by methyl groups at positions 2 and 6, a (2-methoxyethoxy)carbonyl group at position 3, a m-nitrophenyl group at position 4, and an isopropoxycarbonyl group at position 5. An L-type calcium channel blocker, it acts particularly on cerebral circulation, and is used both orally and intravenously for the prevention and treatment of subarachnoid hemorrhage from ruptured intracranial aneurysm. It has the role of cardiovascular drug. It has the role of vasodilator agent. It has the role of antihypertensive agent. It has the role of calcium channel blocker.  It is also related to or classified as 2-methoxyethyl ester .  It is also related to or classified as isopropyl ester . It is also related to or classified as dihydropyridine . It is also related to or classified as diester . It is also related to or classified as dicarboxylic acids and O-substituted derivatives, C-nitro compound.
The molecule <smiles>O[C@@H]1CO[C@@H](O[C@@H]2[C@H](Oc3cc(O)cc(O)c3C2=O)c2ccc(O)c(O)c2)[C@@H](O)[C@@H]1O</smiles> is A flavanone glycoside that is (+)-taxifolin substituted by a beta-D-arabinopyranosyl residue at position 3. It has the role of metabolite. Its functional parent is (+)-taxifolin. Its functional parent is beta-D-arabinopyranose. It is also related to or classified as 4'-hydroxyflavanones . It is also related to or classified as tetrahydroxyflavanone, 3'-hydroxyflavanones, monosaccharide derivative, flavanone glycoside, beta-D-arabinopyranoside.
The molecule <smiles>COc1cc(ccc1O)-c1oc2cc(O[C@H]3O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)cc(O)c2c(=O)c1O</smiles> is A glycosyloxyflavone that is isorhamnetin substituted at position 7 by a beta-L-glucosyl residue. It has the role of metabolite. Its functional parent is beta-L-glucose. Its functional parent is isorhamnetin. 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 trihydroxyflavone, monosaccharide derivative, beta-L-glucoside.
The molecule <smiles>COc1cc(ccc1O)-c1oc2cc(O)cc(O)c2c(=O)c1O[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O</smiles> is A glycosyloxyflavone that is isorhamnetin substituted at position 3 by a beta-L-glucosyl residue. It has the role of metabolite. Its functional parent is beta-L-glucose. Its functional parent is isorhamnetin. 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 trihydroxyflavone, monosaccharide derivative, beta-L-glucoside.
The molecule <smiles>O[C@@H]1CO[C@@H](O[C@@H]2[C@H](Oc3cc(O)cc(O)c3C2=O)c2ccc(O)c(O)c2)[C@H](O)[C@H]1O</smiles> is A flavanone glycoside that is (+)-taxifolin substituted by a beta-D-xylopyranosyl residue at position 3. It has the role of metabolite. Its functional parent is (+)-taxifolin. Its functional parent is beta-D-xylose. It is also related to or classified as beta-D-xyloside . It is also related to or classified as tetrahydroxyflavanone, 3'-hydroxyflavanones, monosaccharide derivative, flavanone glycoside.
The molecule <smiles>COc1cc(ccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)-c1oc2cc(O)cc(O)c2c(=O)c1O</smiles> is A glycosyloxyflavone that is isorhamnetin substituted at position 4' by a beta-D-glucosyl residue. It has the role of metabolite. Its functional parent is beta-L-glucose. Its functional parent is isorhamnetin. 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 trihydroxyflavone, monosaccharide derivative, beta-L-glucoside.
The molecule <smiles>COc1cc(ccc1O[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O)-c1oc2cc(O)cc(O)c2c(=O)c1O</smiles> is A glycosyloxyflavone that is isorhamnetin substituted at position 4' by a beta-L-glucosyl residue. It has the role of metabolite. Its functional parent is beta-L-glucose. Its functional parent is isorhamnetin. 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 trihydroxyflavone, monosaccharide derivative, beta-L-glucoside.
The molecule <smiles>Cl.Cc1ncc(CNC(=O)N(CCCl)N=O)c(N)n1</smiles> is A hydrochloride obtained by combining nimustine with one equivalent of hydrochloric acid. An antineoplastic agent especially effective against malignant brain tumors. It has the role of antineoplastic agent. It is also related to or classified as hydrochloride.
The molecule <smiles>COc1cc(ccc1O)-c1oc2cc(O)cc(O)c2c(=O)c1O[C@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O</smiles> is A glycosyloxyflavone that is isorhamnetin substituted at position 3 by a beta-L-galactosyl residue. It has the role of metabolite. Its functional parent is beta-L-galactose. Its functional parent is isorhamnetin. 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 beta-L-galactoside . It is also related to or classified as trihydroxyflavone, monosaccharide derivative.
The molecule <smiles>OC[C@H]1O[C@@H](Oc2ccc(cc2)-c2oc3cc(O)cc(O)c3c(=O)c2O)[C@H](O)[C@@H](O)[C@@H]1O</smiles> is A kaempferol O-glucoside that is  kaempferol attached to a beta-D-glucopyranosyl moiety at position 4' via a glycosidic linkage. It has the role of plant metabolite. It is also related to or classified as beta-D-glucoside .  It is also related to or classified as flavonols . It is also related to or classified as trihydroxyflavone, monosaccharide derivative, kaempferol O-glucoside.
The molecule <smiles>OC[C@@H]1O[C@@H](Oc2c(oc3cc(O)cc(O)c3c2=O)-c2ccc(O)cc2)[C@@H](O)[C@H](O)[C@H]1O</smiles> is A kaempferol O-glucoside that is  kaempferol attached to an alpha-L-glucopyranosyl moiety at position 3 via a glycosidic linkage. It has the role of plant metabolite. Its functional parent is alpha-L-glucose. It is also related to or classified as trihydroxyflavone, monosaccharide derivative, kaempferol O-glucoside, alpha-L-glucoside.
The molecule <smiles>COC(=O)C1=C(C)NC(C)=C([C@@H]1c1ccccc1[N+]([O-])=O)C(=O)OCC(C)C</smiles> is A methyl 2-methylpropyl 2,6-dimethyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate that has R configuration. It is also related to or classified as methyl 2-methylpropyl 2,6-dimethyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate .
The molecule <smiles>OC[C@H]1O[C@@H](Oc2cc(O)c3c(c2)oc(-c2ccc(O)cc2)c(O)c3=O)[C@H](O)[C@@H](O)[C@H]1O</smiles> is A glycosyloxyflavone that is kaempferol attached to a beta-D-galactopyranosyl moiety at position 7 via a glycosidic linkage. It has the role of metabolite. Its functional parent is kaempferol.  It is also related to or classified as beta-D-galactoside . It is also related to or classified as flavonols . It is also related to or classified as glycosyloxyflavone . It is also related to or classified as trihydroxyflavone, monosaccharide derivative.
The molecule <smiles>OC[C@@H]1O[C@H](Oc2c(oc3cc(O)cc(O)c3c2=O)-c2ccc(O)cc2)[C@@H](O)[C@H](O)[C@H]1O</smiles> is A kaempferol O-glucoside that is  kaempferol attached to a beta-L-glucopyranosyl moiety at position 3 via a glycosidic linkage. It has the role of metabolite. Its functional parent is beta-L-glucose.  It is also related to or classified as flavonols . It is also related to or classified as trihydroxyflavone, monosaccharide derivative, kaempferol O-glucoside, beta-L-glucoside.
The molecule <smiles>OC[C@H]1O[C@@H](Oc2cc(O)cc3oc(-c4ccc(O)cc4)c(O)c(=O)c23)[C@H](O)[C@@H](O)[C@@H]1O</smiles> is A kaempferol O-glucoside that is kaempferol attached to a beta-D-glucopyranosyl moiety at position 5 via a glycosidic linkage. It has the role of plant metabolite. Its functional parent is beta-D-glucose. It is also related to or classified as beta-D-glucoside .  It is also related to or classified as flavonols . It is also related to or classified as trihydroxyflavone, monosaccharide derivative, kaempferol O-glucoside.
The molecule <smiles>Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(=O)O[C@@H]2[C@H](O)[C@@H](CO)O[C@H]2n2cnc3c(N)ncnc23)[C@@H](O)[C@H]1O</smiles> is A (2'->5')-dinucleotide in which the two nucleoside components connected by the (2'->5')-phosphodiester linkage are adenosine. It is also related to or classified as (2'->5')-dinucleotide.
The molecule <smiles>COC(=O)C1=C(C)NC(C)=C([C@H]1c1ccccc1[N+]([O-])=O)C(=O)OCC(C)C</smiles> is A methyl 2-methylpropyl 2,6-dimethyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate that has S configuration. It is also related to or classified as methyl 2-methylpropyl 2,6-dimethyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate .
The molecule <smiles>CCCCCCCCCCCCCC[C@@H](O)[C@@H](O)[C@H](CO[C@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCC</smiles> is A glycophytoceramide having an alpha-D-galctopyranosyl residue at the O-1 position and a nonanoyl group attached to the nitrogen. Its functional parent is alpha-D-galactose. It is also related to or classified as glycophytoceramide.
The molecule <smiles>Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(=O)O[C@@H]2[C@@H](COP(O)(=O)O[C@@H]3[C@@H](CO)O[C@H]([C@@H]3O)n3cnc4c(N)ncnc34)O[C@H]([C@@H]2O)n2cnc3c(N)ncnc23)[C@@H](O)[C@H]1O</smiles> is an oligonucleotide comprised of three adenosine components connected by (3'->5')-phosphodiester linkages. It is also related to or classified as oligonucleotide .
The molecule <smiles>O[C@H]1[C@H](Oc2c(oc3cc(O)cc(O)c3c2=O)-c2cc(O)c(O)c(O)c2)O[C@@H]([C@@H](O)[C@@H]1O)C(O)=O</smiles> is A myricetin O-glucuronide that is myricetin with a beta-D-glucosiduronic acid residue attached at the 3-position. It has the role of metabolite. It is also related to or classified as pentahydroxyflavone, monosaccharide derivative, myricetin O-glucuronide.
The molecule <smiles>O[C@@H]1CO[C@H](O[C@@H]2[C@@H](Oc3cc(O)cc(O)c3C2=O)c2ccc(O)c(O)c2)[C@@H](O)[C@@H]1O</smiles> is A flavanone glycoside that is (+)-epitaxifolin substituted by an alpha-D-arabinopyranosyl residue at position 3. It has the role of metabolite. Its functional parent is (+)-epitaxifolin. Its functional parent is alpha-D-arabinopyranose. It is also related to or classified as 4'-hydroxyflavanones .     It is also related to or classified as alpha-D-arabinopyranoside . It is also related to or classified as tetrahydroxyflavanone, 3'-hydroxyflavanones, monosaccharide derivative, flavanone glycoside.
The molecule <smiles>O[C@H]1[C@H](Oc2cc(O)c3c(c2)oc(-c2cc(O)c(O)c(O)c2)c(O)c3=O)O[C@@H]([C@@H](O)[C@@H]1O)C(O)=O</smiles> is A myricetin O-glucuronide that is myricetin with a beta-D-glucosiduronic acid residue attached at the 7-position. It has the role of metabolite.  It is also related to or classified as flavonols . It is also related to or classified as pentahydroxyflavone, monosaccharide derivative, myricetin O-glucuronide.
The molecule <smiles>Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(=O)O[C@@H]2[C@H](O)[C@@H](COP(O)(=O)O[C@@H]3[C@H](O)[C@@H](COP(O)(=O)O[C@@H]4[C@H](O)[C@@H](COP(O)(=O)O[C@@H]5[C@H](O)[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O[C@H]5n5cnc6c(N)ncnc56)O[C@H]4n4cnc5c(N)ncnc45)O[C@H]3n3cnc4c(N)ncnc34)O[C@H]2n2cnc3c(N)ncnc23)[C@@H](O)[C@H]1O</smiles> is an oligonucleotide comprised of five adenosine residues connected by 2'->5' phosphodiester linkages and with a triphosphate group at the 5' terminus. It is also related to or classified as oligonucleotide .