mingxuzhang/ChEBI-Augmented huggingface dataset:
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-L-glucopyranosyl moiety at position 5 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>Nc1nc2n([C@H]3C[C@H](O)[C@@H](CO)O3)c(Nc3ccc-4c(Cc5ccccc-45)c3)nc2c(=O)[nH]1</smiles> is guanosine substituted at the purine 8-position by a (9H-fluoren-2-yl)amino group. It is also related to or classified as guanosines.
The molecule <smiles>OC[C@H]1O[C@@H](Oc2cc(cc(O)c2O)-c2oc3cc(O)cc(O)c3c(=O)c2O)[C@H](O)[C@@H](O)[C@@H]1O</smiles> is A myricetin O-glucoside that is myricetin with a beta-D-glucosyl residue attached at position 3'. It has the role of 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 pentahydroxyflavone, monosaccharide derivative, myricetin O-glucoside.
The molecule <smiles>OC[C@@H]1O[C@H](Oc2c(oc3cc(O)cc(O)c3c2=O)-c2cc(O)c(O)c(O)c2)[C@@H](O)[C@H](O)[C@@H]1O</smiles> is A glycosyloxyflavone that is myricetin with a beta-L-galactosyl residue attached at position 3. It has the role of metabolite. Its functional parent is myricetin. Its functional parent is beta-L-galactose.  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 pentahydroxyflavone, monosaccharide derivative.
The molecule <smiles>OC[C@H]1O[C@@H](Oc2cc(O)c3c(c2)oc(-c2cc(O)c(O)c(O)c2)c(O)c3=O)[C@H](O)[C@@H](O)[C@@H]1O</smiles> is A myricetin O-glucoside that is myricetin with a beta-D-glucosyl residue attached at position 7. It has the role of 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 pentahydroxyflavone, monosaccharide derivative, myricetin O-glucoside.
The molecule <smiles>CCCCCCCCCCCCCCCC(=O)OCC(O)CO</smiles> is A rac-1-monoacylglycerol in which the acyl group is palmitoyl. It is also related to or classified as rac-1-monoacylglycerol .
The molecule <smiles>OC[C@@H](O)[C@H]1O[C@@H](Oc2c(oc3cc(O)cc(O)c3c2=O)-c2ccc(O)cc2)[C@H](O)[C@H]1O</smiles> is A kaempferol O-glucoside that is  kaempferol attached to a beta-D-glucofuranosyl moiety at position 3 via a glycosidic linkage. It has the role of plant metabolite. 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 glycosyloxyflavone that is kaempferol attached to a beta-D-allopyranosyl moiety at position 3 via a glycosidic linkage. It has the role of metabolite. It has the role of plant metabolite. Its functional parent is kaempferol. Its functional parent is beta-D-allose.  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)-c2cc(O)c(O)c(O)c2)[C@H](O)[C@@H](O)[C@H]1O</smiles> is A glycosyloxyflavone that is myricetin with a beta-D-galactosyl residue attached at position 3. It has the role of metabolite. Its functional parent is myricetin. Its functional parent is beta-D-galactose.  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 pentahydroxyflavone, monosaccharide derivative.
The molecule <smiles>CCCCC\C=C/C\C=C/C\C=C/[C@H](O)[C@H]1O[C@H]1CCCC(O)=O</smiles> is A trienoic fatty acid consisting of (8Z,11Z,14Z)-icosa-8,11,14-trienoic acid having additional (7R)-hydroxy- and (5S,6S)-epoxy groups. Its functional parent is all-cis-icosa-8,11,14-trienoic acid. It is a conjugate acid of (7R)-hydroxy-(5S,6S)-epoxy-(8Z,11Z,14Z)-icosatrienoate. It is also related to or classified as long-chain fatty acid . It is also related to or classified as icosanoid . It is also related to or classified as hydroxy fatty acid, polyunsaturated fatty acid, epoxy fatty acid.
The molecule <smiles>O[C@H]1[C@H](Oc2cc(O)cc3oc(-c4cc(O)c(O)c(O)c4)c(O)c(=O)c23)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 5-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>OC[C@H]1O[C@H](Oc2cc(cc(O)c2O)-c2oc3cc(O)cc(O)c3c(=O)c2O)[C@H](O)[C@@H](O)[C@@H]1O</smiles> is A myricetin O-glucoside that is myricetin with a alpha-D-glucosyl residue attached at position 3'. It has the role of metabolite. Its functional parent is alpha-D-glucose. It is also related to or classified as alpha-D-glucoside .  It is also related to or classified as flavonols . It is also related to or classified as pentahydroxyflavone, monosaccharide derivative, myricetin O-glucoside.
The molecule <smiles>CC(=O)N(c1nc2c(nc(N)[nH]c2=O)n1[C@H]1C[C@H](O)[C@@H](CO)O1)c1ccc-2c(Cc3ccccc-23)c1</smiles> is guanosine substituted at the purine 8-position by an acetyl(9H-fluoren-2-yl)amino group. It is also related to or classified as guanosines.
The molecule <smiles>OC[C@@H]1O[C@@H](Oc2c(oc3cc(O)cc(O)c3c2=O)-c2cc(O)c(O)c(O)c2)[C@@H](O)[C@H](O)[C@H]1O</smiles> is A myricetin O-glucoside that is myricetin with a alpha-L-glucosyl residue attached at position 3. It has the role of metabolite. Its functional parent is alpha-L-glucose. It is also related to or classified as pentahydroxyflavone, monosaccharide derivative, alpha-L-glucoside, myricetin O-glucoside.
The molecule <smiles>OC[C@H]1O[C@H](Oc2c(oc3cc(O)cc(O)c3c2=O)-c2cc(O)c(O)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O</smiles> is A myricetin O-glucoside that is myricetin with a alpha-D-glucosyl residue attached at position 3. It has the role of metabolite. Its functional parent is alpha-D-glucose. It is also related to or classified as alpha-D-glucoside . It is also related to or classified as pentahydroxyflavone, monosaccharide derivative, myricetin O-glucoside.
The molecule <smiles>O.[Fe++].[O-]S([O-])(=O)=O</smiles> is A hydrate that is the monohydrate form of iron(2+) sulfate. It is obtained from the heptahydrate by heating above 65degreeC. It is used as a source of iron in the treatment of iron-deficiency anaemia (generally in solid-dosage treatments; for liquid-dosage treatments, the heptahydrate is normally used). It has the role of nutraceutical. It has the role of reducing agent. It has the role of anti-anaemic agent. It is also related to or classified as iron molecular entity, hydrate.
The molecule <smiles>CCOC(=O)C1=C(C)NC(C)=C(C1c1cccc(c1)[N+]([O-])=O)C(=O)OC</smiles> is A  dihydropyridine that is 1,4-dihydropyridine substituted by methyl groups at positions 2 and 6, a 3-nitrophenyl group at position 4, a ethoxycarbonyl group at position 3 and a methoxycarbonyl group at position 5. It is a calcium-channel blocker used in the treatment of hypertension. It has the role of geroprotector. 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 ethyl ester . It is also related to or classified as methyl 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>CCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC</smiles> is A triglyceride formed by acylation of the three hydroxy groups of glycerol with palmitoleic acid. Its functional parent is palmitoleic acid. It is also related to or classified as triglyceride .
The molecule <smiles>CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCCC\C=C/CCCCCCCC</smiles> is A triglyceride in which the acyl groups at positions 1 and 3 are specified as oleoyl while that at position 2 is specified as palmitoyl. Its functional parent is hexadecanoic acid. Its functional parent is oleic acid. It is also related to or classified as triglyceride .
The molecule <smiles>[Fe++].[O-]S([O-])(=O)=O</smiles> is A compound of iron and sulfate in which the ratio of iron(2+) to sulfate ions is 1:1. Various hydrates occur naturally - most commonly the heptahydrate, which loses water to form the tetrahydrate at 57degreeC and the monohydrate at 65degreeC. It has the role of reducing agent. It is also related to or classified as iron molecular entity, metal sulfate.
The molecule <smiles>CC\C=C/C\C=C/C\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC</smiles> is A triglyceride formed by acylation of the three hydroxy groups of glycerol with linolenic acid. Its functional parent is alpha-linolenic acid. It is also related to or classified as triacylglycerol 54:9 .
The molecule <smiles>CCCCCC\C=C/CCCCCCCC(=O)OC[C@@H](CO)OC(=O)CCCCCCC\C=C/CCCCCC</smiles> is A 2,3-diacyl-sn-glycerol in which both acyl groups are specified as palmitoleoyl. Its functional parent is palmitoleic acid. It is also related to or classified as 2,3-diacyl-sn-glycerol .
The molecule <smiles>CCCCC\C=C/C\C=C/CCCCCCCC(=O)OC[C@@H](CO)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC</smiles> is A 2,3-diacyl-sn-glycerol in which both acyl groups are specified as linoleoyl. Its functional parent is linoleic acid. It is also related to or classified as dilinoleoylglycerol . It is also related to or classified as 2,3-diacyl-sn-glycerol .
The molecule <smiles>CC\C=C/C\C=C/C\C=C/CCCCCCCC(=O)OCC(O)COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC</smiles> is A 1,3-diglyceride in which both acyl groups are specified as linolenoyl. Its functional parent is alpha-linolenic acid. It is also related to or classified as 1,3-diglyceride .
The molecule <smiles>Cc1cn([C@H]2C[C@H](OP(O)(=O)OC[C@H]3O[C@H](C[C@@H]3OP(O)(=O)OC[C@H]3O[C@H](C[C@@H]3OP(O)(=O)OC[C@H]3O[C@H](C[C@@H]3OP(O)(=O)OC[C@H]3O[C@H](C[C@@H]3O)n3cnc4c(N)ncnc34)n3ccc(N)nc3=O)n3ccc(N)nc3=O)n3cnc4c(N)ncnc34)[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]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)n3ccc(N)nc3=O)n3cc(C)c(=O)[nH]c3=O)n3cnc4c3nc(N)[nH]c4=O)n3ccc(N)nc3=O)n3cnc4c(N)ncnc34)n3cnc4c3nc(N)[nH]c4=O)n3cnc4c(N)ncnc34)n3cnc4c(N)ncnc34)n3cc(C)c(=O)[nH]c3=O)n3cc(C)c(=O)[nH]c3=O)n3ccc(N)nc3=O)n3cc(C)c(=O)[nH]c3=O)n3cnc4c3nc(N)[nH]c4=O)n3cnc4c3nc(N)[nH]c4=O)O2)c(=O)[nH]c1=O</smiles> is A single-stranded DNA oligonucleotide comprised of five deoxyadenosine, five deoxycytidine, five thymidine and four deoxyguanidine residues connected by 3'->5' phosphodiester linkages in the sequence CTGCAGAATTCTGGTACCA. It is also related to or classified as single-stranded DNA oligonucleotide.
The molecule <smiles>C[C@@H](O)[C@H]1O[C@H](Oc2c(oc3cc(O)cc(O)c3c2=O)-c2ccc(O)c(O)c2)[C@@H](O)[C@H]1O</smiles> is A quercetin O-glycoside that is quercetin attached to a alpha-D-rhamnofuranosyl moiety at position 3 via a glycosidic linkage. It has the role of metabolite. It is also related to or classified as tetrahydroxyflavone .  It is also related to or classified as alpha-D-rhamnofuranoside . It is also related to or classified as monosaccharide derivative, quercetin O-glycoside.
The molecule <smiles>C[C@@H](O)[C@H]1O[C@H](O)[C@@H](O)[C@H]1O</smiles> is A D-rhamnofuranose having alpha-configuration at the anomeric centre. It has the role of metabolite. It is also related to or classified as D-rhamnofuranose .
The molecule <smiles>CC\C=C/C\C=C/C\C=C/CCCCCCCC(=O)OC[C@@H](CO)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC</smiles> is A 2,3-diacyl-sn-glycerol in which both acyl groups are specified as linolenoyl. Its functional parent is alpha-linolenic acid. It is also related to or classified as 2,3-diacyl-sn-glycerol .
The molecule <smiles>C[C@@H]1O[C@@H](Oc2c(oc3cc(O)cc(O)c3c2=O)-c2ccc(O)c(O)c2)[C@@H](O)[C@H](O)[C@@H]1O</smiles> is A quercetin O-glycoside that is quercetin attached to a alpha-L-fucopyranosyl moiety at position 3 via a glycosidic linkage. It has the role of metabolite. Its functional parent is alpha-L-fucose. It is also related to or classified as alpha-L-fucoside . It is also related to or classified as tetrahydroxyflavone . It is also related to or classified as monosaccharide derivative, quercetin O-glycoside.
The molecule <smiles>CCCCCC\C=C/CCCCCCCC(=O)OCC(O)COC(=O)CCCCCCC\C=C/CCCCCC</smiles> is A 1,3-diglyceride in which both acyl groups are specified as palmitoleoyl. Its functional parent is palmitoleic acid. It is also related to or classified as dipalmitoleoylglycerol . It is also related to or classified as 1,3-diglyceride .
The molecule <smiles>CCCCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCCCCC\C=C/CCCCCCCC</smiles> is A 1,3-diglyceride in which the acyl groups at positions 1 and 3 are specified as oleoyl and palmitoyl respectively. Its functional parent is hexadecanoic acid. Its functional parent is oleic acid. It is also related to or classified as 1,3-diglyceride .
The molecule <smiles>CCCCC\C=C/C\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC</smiles> is A triglyceride formed by acylation of the three hydroxy groups of glycerol with linoleic acid. It has the role of mouse metabolite. Its functional parent is linoleic acid. It is also related to or classified as TG(18:2/18:2/18:2) . It is also related to or classified as 1,2-diacyl-3-linoleoylglycerol . It is also related to or classified as 1,3-diacyl-2-linoleoylglycerol . It is also related to or classified as linoleoyl containing 1,2,3-triacyl-sn-glycerol . It is also related to or classified as triglyceride .
The molecule <smiles>CCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COC(=O)CCCCCCC\C=C/CCCCCCCC</smiles> is A 1,3-diglyceride in which the acyl groups at positions 1 and 3 are specified as palmitoyl and oleoyl respectively (the R-stereoisomer). It is also related to or classified as 1-oleoyl-3-palmitoylglycerol . It is also related to or classified as 1,3-diacyl-sn-glycerol . It is also related to or classified as diacylglycerol 34:1 .
The molecule <smiles>CC(C)OP(C)(F)=O</smiles> is A phosphinic ester that is the isopropyl ester of methylphosphonofluoridic acid. It is also related to or classified as fluorine molecular entity, phosphinic ester.
The molecule <smiles>CCCCCCCCCCCCCCCC(=O)O[C@H](CO)COC(=O)CCCCCCC\C=C/CCCCCCCC</smiles> is A 2,3-diacyl-sn-glycerol in which the acyl groups at positions 2 and 3 are specified as palmitoyl and oleoyl respectively. Its functional parent is hexadecanoic acid. Its functional parent is oleic acid. It is also related to or classified as 2,3-diacyl-sn-glycerol .
The molecule <smiles>CCCCCCCCCCCCCCCC(=O)OC[C@H](O)COC(=O)CCCCCCC\C=C/CCCCCCCC</smiles> is A 1,3-diglyceride in which the acyl groups at positions 1 and 3 are specified as oleoyl and palmitoyl respectively (the S-stereoisomer). It is also related to or classified as 1-oleoyl-3-palmitoylglycerol . It is also related to or classified as 1,3-diacyl-sn-glycerol .
The molecule <smiles>OC[C@H]1O[C@H](Oc2c(O)cc(cc2O)-c2oc3cc(O)cc(O)c3c(=O)c2O)[C@H](O)[C@@H](O)[C@@H]1O</smiles> is A myricetin O-glucoside that is myricetin with a alpha-D-glucosyl residue attached at position 4'. It has the role of metabolite. Its functional parent is alpha-D-glucose. It is also related to or classified as alpha-D-glucoside .  It is also related to or classified as flavonols . It is also related to or classified as pentahydroxyflavone, monosaccharide derivative, myricetin O-glucoside.
The molecule <smiles>CCCCC\C=C/C\C=C/CCCCCCCC(=O)OCC(O)COC(=O)CCCCCCC\C=C/C\C=C/CCCCC</smiles> is A 1,3-diglyceride in which both acyl groups are specified as linoleoyl. Its functional parent is linoleic acid. It is also related to or classified as dilinoleoylglycerol . It is also related to or classified as 1,3-diglyceride .
The molecule <smiles>C[C@@H]1O[C@H](Oc2c(oc3cc(O)cc(O)c3c2=O)-c2ccc(O)c(O)c2)[C@@H](O)[C@H](O)[C@@H]1O</smiles> is A quercetin O-glycoside that is quercetin attached to a beta-L-fucopyranosyl moiety at position 3 via a glycosidic linkage. It has the role of metabolite. Its functional parent is beta-L-fucose. It is also related to or classified as tetrahydroxyflavone .  It is also related to or classified as beta-L-fucoside . It is also related to or classified as monosaccharide derivative, quercetin O-glycoside.
The molecule <smiles>Oc1ccc(cc1)C1COc2cc(O)ccc2C1=O</smiles> is A hydroxyisoflavanone that is isoflavanone carrying two hydroxy substituents located at positions 4' and 7. It has the role of metabolite. It is also related to or classified as hydroxyisoflavanone.
The molecule <smiles>OC[C@@H]1O[C@H](O[C@@H]2[C@@H](O)[C@H](CO)O[C@@H]2O[C@@H]2[C@@H](O)[C@H](CO)O[C@@H]2O[C@@H]2C[NH2+][C@@H](C2)C([O-])=O)[C@H](O)[C@H]1O</smiles> is an amino acid zwitterion obtained by transfer of a proton from the carboxy to the amino group of 4-O-(beta-L-Araf-(1->2)-beta-L-Araf-(1->2)-beta-L-Araf)-cis-L-Hyp. It is also related to or classified as amino-acid zwitterion.
The molecule <smiles>C[C@@H]1O[C@H](Oc2cc(O)c3c(c2)oc(-c2ccc(O)c(O)c2)c(O)c3=O)[C@H](O)[C@H](O)[C@H]1O</smiles> is A quercetin O-glycoside that is quercetin attached to a beta-L-rhamnopyranosyl moiety at position 7 via a glycosidic linkage. It has the role of metabolite. Its functional parent is beta-L-rhamnopyranose. It is also related to or classified as beta-L-rhamnoside . It is also related to or classified as flavonols . It is also related to or classified as tetrahydroxyflavone . It is also related to or classified as monosaccharide derivative, quercetin O-glycoside.
The molecule <smiles>OC[C@@H]1O[C@H](O[C@@H]2C[NH2+][C@@H](C2)C([O-])=O)[C@H](O)[C@H]1O</smiles> is an amino acid zwitterion obtained by transfer of a proton from the carboxy to the amino group of 4-O-(beta-L-Araf)-cis-L-Hyp. It is also related to or classified as amino-acid zwitterion.
The molecule <smiles>C=1(C(=CC(Cl)=CC1)Cl)OC=2C=CC(=CC2)[N+]([O-])=O</smiles> is nitrofen. It has the role of herbicide. It has the role of EC 1.3.3.4 (protoporphyrinogen oxidase) inhibitor. It is also related to or classified as organic molecular entity.
The molecule <smiles>Cc1cn([C@H]2C[C@H](OP(O)(=O)OC[C@H]3O[C@H](C[C@@H]3OP(O)(=O)OC[C@H]3O[C@H](C[C@@H]3O)n3ccc(N)nc3=O)n3cnc4c3nc(N)[nH]c4=O)[C@@H](COP(O)(=O)O[C@H]3C[C@@H](O[C@@H]3CO)n3ccc(N)nc3=O)O2)c(=O)[nH]c1=O.Nc1ccn([C@H]2C[C@H](OP(O)(=O)OC[C@H]3O[C@H](C[C@@H]3OP(O)(=O)OC[C@H]3O[C@H](C[C@@H]3O)n3cnc4c3nc(N)[nH]c4=O)n3cnc4c(N)ncnc34)[C@@H](COP(O)(=O)O[C@H]3C[C@@H](O[C@@H]3CO)n3cnc4c3nc(N)[nH]c4=O)O2)c(=O)n1</smiles> is A double-stranded DNA fragment consisting of a 5'-CTGC-3' strand antiparallel to a 3'-GACG-5' strand. It is also related to or classified as double-stranded DNA fragment.
The molecule <smiles>OC[C@@H]1O[C@H](O[C@@H]2[C@@H](O)[C@H](CO)O[C@@H]2O[C@@H]2[C@@H](O)[C@H](CO)O[C@@H]2O[C@@H]2CN[C@@H](C2)C(O)=O)[C@H](O)[C@H]1O</smiles> is an O(4)-glycosyl-L-hydroxyproline that is cis-L-hydroxylproline glycosylated by a beta-L-Araf-(1->2)-beta-L-Araf-(1->2)-beta-L-Araf moiety. Its functional parent is cis-4-hydroxy-L-proline. It is also related to or classified as O(4)-glycosyl-L-hydroxyproline, trisaccharide derivative, non-proteinogenic L-alpha-amino acid, L-proline derivative.
The molecule <smiles>Cc1cn([C@H]2C[C@@H]3OP(O)(=O)OC[C@H]4O[C@H](C[C@@H]4OP(O)(=O)OC[C@H]4O[C@H](C[C@@H]4OP(O)(=O)OC[C@H]4O[C@H](C[C@@H]4OP(O)(=O)OC[C@H]4O[C@H](C[C@@H]4OP(O)(=O)OC[C@H]4O[C@H](C[C@@H]4OP(O)(=O)OC[C@H]4O[C@H](C[C@@H]4O)n4cc(C)c(=O)n(CCSSCCn5c(=O)c(C)cn([C@H]6C[C@H](OP(O)(=O)OC[C@H]7O[C@H](C[C@@H]7OP(O)(=O)OC[C@H]7O[C@H](C[C@@H]7OP(O)(=O)OC[C@H]7O[C@H](C[C@@H]7OP(O)(=O)OC[C@H]7O[C@H](C[C@@H]7OP(O)(=O)OC[C@H]7O[C@H](C[C@@H]7OP(O)(=O)OC[C@H]7O[C@H](C[C@@H]7OP(O)(=O)OC[C@H]7O[C@H](C[C@@H]7OP(O)(=O)OC[C@H]7O[C@H](C[C@@H]7OP(O)(=O)OC[C@H]7O[C@H](C[C@@H]7OP(O)(=O)OC[C@H]7O[C@H](C[C@@H]7OP(O)(=O)OC[C@H]7O[C@H](C[C@@H]7O)n7cc(C)c(=O)n(CCSSCCn8c(=O)c(C)cn([C@H]9C[C@H](OP(O)(=O)OC[C@H]%10O[C@H](C[C@@H]%10OP(O)(=O)OC[C@H]%10O[C@H](C[C@@H]%10OP(O)(=O)OC[C@H]%10O[C@H](C[C@@H]%10OP(O)(=O)OC[C@H]%10O[C@H](C[C@@H]%10OP(O)(=O)OC[C@H]3O2)n2cc(C)c(=O)[nH]c2=O)n2ccc(N)nc2=O)n2cnc3c2nc(N)[nH]c3=O)n2ccc(N)nc2=O)[C@@H](CO)O9)c8=O)c7=O)n2cnc3c2nc(N)[nH]c3=O)n2ccc(N)nc2=O)n2cnc3c2nc(N)[nH]c3=O)n2cnc3c(N)ncnc23)n2cnc3c(N)ncnc23)n2cc(C)c(=O)[nH]c2=O)n2cc(C)c(=O)[nH]c2=O)n2ccc(N)nc2=O)n2cnc3c2nc(N)[nH]c3=O)n2ccc(N)nc2=O)[C@@H](CO)O6)c5=O)c4=O)n2cnc3c2nc(N)[nH]c3=O)n2ccc(N)nc2=O)n2cnc3c2nc(N)[nH]c3=O)n2cnc3c(N)ncnc23)n2cnc3c(N)ncnc23)c(=O)[nH]c1=O</smiles> is A cyclic oligonucleotide consisting of TGCGAATTCGCT and TGCGAATTCGCT strands of DNA linked by hydrogen bonding between the base pairs and also covalently via two disulfanediyldiethane-1,2-diyl linkages between the N-3 atoms of the terminal thymidine residues. It is also related to or classified as cyclic oligonucleotide.
The molecule <smiles>C[C@H](O)[C@@H]1O[C@@H](Oc2c(oc3cc(O)cc(O)c3c2=O)-c2ccc(O)c(O)c2)[C@H](O)[C@@H]1O</smiles> is A quercetin O-glycoside that is quercetin attached to a alpha-L-rhamnofuranosyl moiety at position 3 via a glycosidic linkage. It has the role of metabolite. It is also related to or classified as tetrahydroxyflavone .  It is also related to or classified as alpha-L-rhamnofuranoside . It is also related to or classified as monosaccharide derivative, quercetin O-glycoside.
The molecule <smiles>Cc1cn([C@H]2C[C@H](OP(O)(=O)OC[C@H]3O[C@H](C[C@@H]3OP(O)(=O)OC[C@H]3O[C@H](C[C@@H]3O)n3ccc(N)nc3=O)n3cnc4c3nc(N)[nH]c4=O)[C@@H](COP(O)(=O)O[C@H]3C[C@@H](O[C@@H]3CO)n3ccc(N)nc3=O)O2)c(=O)[nH]c1=O</smiles> is A single-stranded DNA oligonucleotide comprised of one thymidine, one deoxyguanidine and two deoxycytidine residues connected by 3'->5' phosphodiester linkages in the sequence CTGC. It is also related to or classified as single-stranded DNA oligonucleotide.
The molecule <smiles>Nc1c(CC([O-])=O)cccc1C(=O)c1ccccc1</smiles> is an oxo monocarboxylic acid anion resulting from the removal of a proton from the carboxy group of amfenac. The major species at pH 7.3. It is also related to or classified as oxo monocarboxylic acid anion.
The molecule <smiles>Nc1ccn([C@H]2C[C@H](OP(O)(=O)OC[C@H]3O[C@H](C[C@@H]3OP(O)(=O)OC[C@H]3O[C@H](C[C@@H]3O)n3cnc4c3nc(N)[nH]c4=O)n3cnc4c(N)ncnc34)[C@@H](COP(O)(=O)O[C@H]3C[C@@H](O[C@@H]3CO)n3cnc4c3nc(N)[nH]c4=O)O2)c(=O)n1</smiles> is A single-stranded DNA oligonucleotide comprised of one deoxycytidine, one deoxyadenosine and two deoxyguanosine residues connected by 3'->5' phosphodiester linkages in the sequence GCAG. It is also related to or classified as single-stranded DNA oligonucleotide.
The molecule <smiles>CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC\C(C)=C\Cc1cc(O)c(C)c(C)c1O</smiles> is the (R,R)-stereoisomer of 2,3-dimethyl-6-phytylhydroquinone. It has the role of metabolite. It is also related to or classified as 2,3-dimethyl-6-phytylhydroquinone .
The molecule <smiles>C[C@H](O)[C@@H]1O[C@@H](O)[C@H](O)[C@@H]1O</smiles> is an L-rhamnofuranose having alpha-configuration at the anomeric centre. It is also related to or classified as L-rhamnofuranose .
The molecule <smiles>C[C@H]1O[C@H](Oc2cc(O)c3c(c2)oc(-c2ccc(O)c(O)c2)c(O)c3=O)[C@@H](O)[C@@H](O)[C@@H]1O</smiles> is A quercetin O-glycoside that is  quercetin attached to a alpha-D-rhamnopyranosyl moiety at position 7 via a glycosidic linkage. It has the role of metabolite. Its functional parent is alpha-D-rhamnose. It is also related to or classified as flavonols . It is also related to or classified as tetrahydroxyflavone .  It is also related to or classified as alpha-D-rhamnoside . It is also related to or classified as monosaccharide derivative, quercetin O-glycoside.