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> <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> <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> <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> <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> <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> <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> <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> <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> <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> <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> <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> <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> <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> <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> <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> <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> <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> <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> <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> <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> <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> <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> <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> <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> <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  .


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> <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> <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> <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> <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> <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> <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> <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> <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> <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> <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> <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> <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> <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> <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> <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> <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> <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> <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> <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> <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> <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> <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> <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> <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>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> <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> <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> <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> <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> <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> <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> <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> <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> <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> <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> <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> <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> <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> <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> <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> <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> <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> <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> <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> <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> <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>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> <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> <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> <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> <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> <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> <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> <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 .


The molecule <smiles>CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](CO)OCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC</smiles> <smiles>CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](CO)OCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC</smiles> is A monoglyceride that is 1-oleoyl-sn-glycerol in which the hydroxyl hydrogen at position 2 is replaced by an arachidonyl group. Its functional parent is oleic acid . It is also related to or classified as monoacylglycerol  . It is also related to or classified as ether lipid .


The molecule <smiles>CCCCCCCCCCCCCC[C@@H](O)C([O-])=O</smiles> <smiles>CCCCCCCCCCCCCC[C@@H](O)C([O-])=O</smiles> is the R-enantiomer of 2-hydroxyhexadecanoate. It is also related to or classified as 2-hydroxyhexadecanoate  . It is also related to or classified as (2R)-2-hydroxy fatty acid anion  .


The molecule <smiles>COC(\C=C\C(O)=O)=C/C(C)=C/C1CCCc2oc3ccc(O)cc3c12</smiles> <smiles>COC(\C=C\C(O)=O)=C/C(C)=C/C1CCCc2oc3ccc(O)cc3c12</smiles> is A monocarboxylic acid that is (2E,4Z,6E)-4-methoxy-6-methylhepta-2,4,6-trienoic acid substituted at position 7 by an 8-hydroxy-1,2,3,4-tetrahydrodibenzofuran-1-yl group. It has the role of metabolite . It is also related to or classified as phenols  .  It is also related to or classified as enol ether  . It is also related to or classified as dibenzofurans , alpha,beta-unsaturated monocarboxylic acid .


The molecule <smiles>Oc1cc(=O)[nH]c2ccccc12</smiles> <smiles>Oc1cc(=O)[nH]c2ccccc12</smiles> is A heteroaryl hydroxy compound that is 2-quinolone substituted at position 4 by a hydroxy group. It is also related to or classified as quinolone , heteroaryl hydroxy compound .


The molecule <smiles>NC(=O)Cc1cccc(C(=O)c2ccccc2)c1N</smiles> <smiles>NC(=O)Cc1cccc(C(=O)c2ccccc2)c1N</smiles> is A monocarboxylic acid amide that is amfenac in which the carboxylic acid group has been converted into the corresponding carboxamide. It is a prodrug for amfenac, used in eye drops to treat pain and inflammation following cataract surgery. It has the role of non-steroidal anti-inflammatory drug . It has the role of non-narcotic analgesic . It has the role of prodrug . It has the role of cyclooxygenase 2 inhibitor . It has the role of cyclooxygenase 1 inhibitor . It is also related to or classified as monocarboxylic acid amide  .


The molecule <smiles>CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCOC(CO)CO</smiles> <smiles>CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCOC(CO)CO</smiles> is A monoalkylglycerol that is glycerol which is substituted by a (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraen-1-yl group at position 2.  It is also related to or classified as 2-alkylglycerol  . It is also related to or classified as endocannabinoid , monoalkylglycerol .


The molecule <smiles>CCCCCCCCCCCCCCCCCCCCCC[C@@H](O)C([O-])=O</smiles> <smiles>CCCCCCCCCCCCCCCCCCCCCC[C@@H](O)C([O-])=O</smiles> is A hydroxy fatty acid anion that is the conjugate base of (R)-2-hydroxylignoceric acid, obtained by deprotonation of the carboxy group. It is also related to or classified as very long-chain fatty acid anion  . It is also related to or classified as (2R)-2-hydroxy fatty acid anion  .


The molecule <smiles>C[C@H]1[C@H]2[C@H](C[C@H]3[C@@H]4CC=C5C[C@H](CC[C@]5(C)[C@H]4CC[C@]23C)O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@H]3O)[C@H](O)[C@H]2O[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)O[C@]11CC[C@@](C)(CO)O1</smiles> <smiles>C[C@H]1[C@H]2[C@H](C[C@H]3[C@@H]4CC=C5C[C@H](CC[C@]5(C)[C@H]4CC[C@]23C)O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@H]3O)[C@H](O)[C@H]2O[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)O[C@]11CC[C@@](C)(CO)O1</smiles> is A steroid saponin that is avenacoside B lacking the 26-O-glucosyl residue. It has the role of metabolite . Its functional parent is nuatigenin . Its functional parent is avenacoside B . It is also related to or classified as steroid saponin , tetrasaccharide derivative , hexacyclic triterpenoid , spiroketal .


The molecule <smiles>CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC\C(C)=C\Cc1cc(O)cc(C)c1O</smiles> <smiles>CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC\C(C)=C\Cc1cc(O)cc(C)c1O</smiles> is the (R,R)-stereoisomer of 2-methyl-6-phytylhydroquinone. It has the role of metabolite . It is also related to or classified as 2-methyl-6-phytylhydroquinone  .


The molecule <smiles>OC[C@@H]1O[C@H](O[C@@H]2CN[C@@H](C2)C(O)=O)[C@H](O)[C@H]1O</smiles> <smiles>OC[C@@H]1O[C@H](O[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 moiety. Its functional parent is cis-4-hydroxy-L-proline . It is also related to or classified as O(4)-glycosyl-L-hydroxyproline , monosaccharide derivative , non-proteinogenic L-alpha-amino acid , L-proline derivative .


The molecule <smiles>CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](O)CO</smiles> <smiles>CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](O)CO</smiles> is A 3-acyl-sn-glycerol in which the acyl group is (9Z)-octadec-9-enoyl. Its functional parent is oleic acid . It is also related to or classified as 3-acyl-sn-glycerol  . It is also related to or classified as 1-oleoylglycerol  .


The molecule <smiles>CCc1cc2c(occ(-c3nc4ccccc4s3)c2=O)c(CN2CCCCC2)c1O</smiles> <smiles>CCc1cc2c(occ(-c3nc4ccccc4s3)c2=O)c(CN2CCCCC2)c1O</smiles> is A chromone that is 3-(1,3-benzothiazol-2-yl)-8-(1-piperidinylmethyl)chromen-4-one bearing additional ethyl and hydroxy substituents at positions 6 and 7 respectively. It has the role of antineoplastic agent . It has the role of EC 6.3.2.19 (ubiquitin--protein ligase) inhibitor .   It is also related to or classified as phenols  . It is also related to or classified as chromones , piperidines , benzothiazoles .


The molecule <smiles>C[C@H]1[C@H]2[C@H](C[C@H]3[C@@H]4CC=C5C[C@H](CC[C@]5(C)[C@H]4CC[C@]23C)O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)O[C@]11CC[C@@](C)(CO)O1</smiles> <smiles>C[C@H]1[C@H]2[C@H](C[C@H]3[C@@H]4CC=C5C[C@H](CC[C@]5(C)[C@H]4CC[C@]23C)O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)O[C@]11CC[C@@](C)(CO)O1</smiles> is A steroid saponin that is avenacoside A lacking the 26-O-glucosyl residue. It has the role of metabolite . Its functional parent is nuatigenin . Its functional parent is avenacoside A . It is also related to or classified as steroid saponin , trisaccharide derivative , hexacyclic triterpenoid , spiroketal .


The molecule <smiles>CC1C(C=O)=CNC=C1C=O</smiles> <smiles>CC1C(C=O)=CNC=C1C=O</smiles> is A dialdehyde in which the two carbaldehyde functions are at positions 3 and 5 of 4-methyl-1,4-dihydropyridine. Although the compound is an entity in its own right, the nitrogen of the dihydropyridine ring may also arise from the epsilon-amino group of a lysine residue within a protein [MDHDC-protein adduct; malonaldedehyde (synonym malondialdehyde) acetaldehyde (MAA)-protein adduct]. It has the role of epitope .  It is also related to or classified as dihydropyridine  . It is also related to or classified as dialdehyde .


The molecule <smiles>Cc1ccc2c(oc3c(CC(O)=O)cccc3c2=O)c1C</smiles> <smiles>Cc1ccc2c(oc3c(CC(O)=O)cccc3c2=O)c1C</smiles> is A monocarboxylic acid that is acetic acid in which one of the methyl hydrogens is replaced by a 5,6-dimethyl-9-oxoxanthen-4-yl group. It has the role of antineoplastic agent . It is also related to or classified as monocarboxylic acid , xanthones .


The molecule <smiles>Nc1nc2n(cnc2c(=O)[nH]1)[C@@H]1O[C@@H]2COP(O)(=O)O[C@@H]3[C@H](O)[C@@H](COP(O)(=O)O[C@@H]1[C@@H]2O)O[C@H]3n1cnc2c(N)ncnc12</smiles> <smiles>Nc1nc2n(cnc2c(=O)[nH]1)[C@@H]1O[C@@H]2COP(O)(=O)O[C@@H]3[C@H](O)[C@@H](COP(O)(=O)O[C@@H]1[C@@H]2O)O[C@H]3n1cnc2c(N)ncnc12</smiles> is A cyclic purine dinucleotide that consists of AMP and GMP units cyclised via 2',5'-linkages. It is also related to or classified as cyclic purine dinucleotide , guanyl ribonucleotide , adenyl ribonucleotide .


The molecule <smiles>O=C1Oc2ccccc2Oc2ccccc12</smiles> <smiles>O=C1Oc2ccccc2Oc2ccccc12</smiles> is the simplest member of the class of  depsidones comprising of a heterotricyclic system that is 11H-dibenzo[b,e][1,4]dioxepine substituted by an oxo group at position 11. It is also related to or classified as organic heterotricyclic compound , depsidones .


The molecule <smiles>CCCCCCCCCCCCCCCCOC[C@H](CO)OC(C)=O</smiles> <smiles>CCCCCCCCCCCCCCCCOC[C@H](CO)OC(C)=O</smiles> is A 1-alkyl-2-acetylglycerol in which the 1-alkyl group is specified as palmityl (hexadecyl). Its functional parent is acetic acid . It is also related to or classified as 1-alkyl-2-acetyl-sn-glycerol  . It is also related to or classified as 1-alkyl-2-acetylglycerol  .


The molecule <smiles>CCCCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCCCCC\C=C/CCCCCCCC</smiles> <smiles>CCCCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCCCCC\C=C/CCCCCCCC</smiles> is A racemate comprising equimolar amounts of 1-palmitoyl-3-oleoyl-sn-glycerol and 1-oleoyl-3-palmitoyl-sn-glycerol. It is also related to or classified as racemate .


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]3OP(O)(=O)OC[C@H]3O[C@H](C[C@@H]3O)n3ccc(N)nc3=O)n3ccc(N)nc3=O)n3cnc4c(N)ncnc34)n3cnc4c(N)ncnc34)n3ccc(N)nc3=O)[C@@H](CO)O2)c(=O)[nH]c1=O</smiles> <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]3OP(O)(=O)OC[C@H]3O[C@H](C[C@@H]3O)n3ccc(N)nc3=O)n3ccc(N)nc3=O)n3cnc4c(N)ncnc34)n3cnc4c(N)ncnc34)n3ccc(N)nc3=O)[C@@H](CO)O2)c(=O)[nH]c1=O</smiles> is A single-stranded DNA oligonucleotide comprised of two deoxyadenosine, one thymidine and three deoxycytidine residues connected by 3'->5' phosphodiester linkages in the sequence TCAACC. It has the role of antigen . It is also related to or classified as single-stranded DNA oligonucleotide .


The molecule <smiles>CC(C)=CCC[C@](C)(O)[C@H]1CC[C@]2(C)[C@@H]1[C@H](O)C[C@@H]1[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3[C@@H](O)C[C@@]21C</smiles> <smiles>CC(C)=CCC[C@](C)(O)[C@H]1CC[C@]2(C)[C@@H]1[C@H](O)C[C@@H]1[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3[C@@H](O)C[C@@]21C</smiles> is A tetracyclic triterpenoid sapogenin (isolated from ginseng and notoginseng) that is that is dammarane which is substituted by hydroxy groups at the 3beta, 6alpha, 12beta and 20 pro-S positions and in which a double bond has been introduced at the 24-25 position. It has the role of metabolite . It is also related to or classified as 3beta-hydroxy-4,4-dimethylsteroid  . It is also related to or classified as sapogenin  .    It is also related to or classified as 3beta-hydroxy steroid  . It is also related to or classified as tetracyclic triterpenoid , 12beta-hydroxy steroid , 6alpha-hydroxy steroid .


The molecule <smiles>CCCCCCCCCCCCCCCCCCCC[C@@H](O)C(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](OS([O-])(=O)=O)[C@H]1O)[C@H](O)\C=C\CCCCCCCCCCCCC</smiles> <smiles>CCCCCCCCCCCCCCCCCCCC[C@@H](O)C(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](OS([O-])(=O)=O)[C@H]1O)[C@H](O)\C=C\CCCCCCCCCCCCC</smiles> is A galactosylceramide sulfate(1-) in which the ceramide N-acyl group is specified as (R)-2-hydroxybehenoyl. It is also related to or classified as beta-D-galactosylceramide sulfate(1-)  .


The molecule <smiles>CCCCCCCCCCCCCCCC[C@@H](O)C(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](OS([O-])(=O)=O)[C@H]1O)[C@H](O)\C=C\CCCCCCCCCCCCC</smiles> <smiles>CCCCCCCCCCCCCCCC[C@@H](O)C(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](OS([O-])(=O)=O)[C@H]1O)[C@H](O)\C=C\CCCCCCCCCCCCC</smiles> is A galactosylceramide sulfate(1-) in which the ceramide N-acyl group is specified as (R)-2-hydroxystearoyl. It is also related to or classified as beta-D-galactosylceramide sulfate(1-)  .


The molecule <smiles>Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP([O-])(=O)OP([O-])(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)[n+]2cccc(c2)C([O-])=O)[C@@H](O)[C@H]1OP([O-])([O-])=O</smiles> <smiles>Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP([O-])(=O)OP([O-])(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)[n+]2cccc(c2)C([O-])=O)[C@@H](O)[C@H]1OP([O-])([O-])=O</smiles> is an organophosphate oxoanion obtained by deprotonation of the phosphate, diphosphate and carboxy groups of nicotinic acid-adenine dinucleotide phosphate. It is also related to or classified as organophosphate oxoanion .


The molecule <smiles>C[C@@H]1O[C@@H](C[C@](C)([NH3+])[C@H]1O)OP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H](C[C@@H]1O)n1cc(C)c(=O)[nH]c1=O</smiles> <smiles>C[C@@H]1O[C@@H](C[C@](C)([NH3+])[C@H]1O)OP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H](C[C@@H]1O)n1cc(C)c(=O)[nH]c1=O</smiles> is A nucleotide-sugar oxoanion that is the conjugate base of dTDP-beta-L-4-epi-vancosamine, arising from deprotonation of the diphosphate group and protonation of the amino group. It is also related to or classified as nucleotide-sugar oxoanion .


The molecule <smiles>CCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](OS([O-])(=O)=O)[C@H]1O)[C@H](O)\C=C\CCCCCCCCCCCCC</smiles> <smiles>CCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](OS([O-])(=O)=O)[C@H]1O)[C@H](O)\C=C\CCCCCCCCCCCCC</smiles> is A galactosylceramide sulfate(1-) in which the ceramide N-acyl group is specified as docosanoyl. It is also related to or classified as beta-D-galactosylceramide sulfate(1-)  .


The molecule <smiles>C[NH2+][C@H](CC(C)C)C(=O)N[C@@H]1[C@H](O)c2ccc(Oc3cc4cc(Oc5ccc(cc5Cl)[C@@H](O[C@H]5C[C@](C)([NH3+])[C@@H](O)[C@H](C)O5)[C@@H]5NC(=O)[C@H](NC(=O)[C@@H]4NC(=O)[C@H](CC(N)=O)NC1=O)c1ccc(O)c(c1)-c1c(O)cc(O)cc1[C@H](NC5=O)C([O-])=O)c3O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c(Cl)c2</smiles> <smiles>C[NH2+][C@H](CC(C)C)C(=O)N[C@@H]1[C@H](O)c2ccc(Oc3cc4cc(Oc5ccc(cc5Cl)[C@@H](O[C@H]5C[C@](C)([NH3+])[C@@H](O)[C@H](C)O5)[C@@H]5NC(=O)[C@H](NC(=O)[C@@H]4NC(=O)[C@H](CC(N)=O)NC1=O)c1ccc(O)c(c1)-c1c(O)cc(O)cc1[C@H](NC5=O)C([O-])=O)c3O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c(Cl)c2</smiles> is an organic cation obtained by deprotonation of the carboxy groups and protonation of the two free amino groups of chloroorienticin B. It is a conjugate acid of chloroorienticin B . It is also related to or classified as organic cation , ammonium ion derivative .


The molecule <smiles>CCCCCCCCCCCCCCCCCCCC[C@@H](O)C(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)[C@H](O)\C=C\CCCCCCCCCCCCC</smiles> <smiles>CCCCCCCCCCCCCCCCCCCC[C@@H](O)C(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)[C@H](O)\C=C\CCCCCCCCCCCCC</smiles> is A D-galactosyl-N-acylsphingosine in which the ceramide N-acyl group is specified as (R)-2-hydroxybehenoyl. Its functional parent is docosanoic acid . It is also related to or classified as N-acyl-beta-D-galactosylsphingosine  .


The molecule <smiles>CCCCCCCCCCCCCCCCCCCCCC[C@@H](O)C(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](OS([O-])(=O)=O)[C@H]1O)[C@H](O)\C=C\CCCCCCCCCCCCC</smiles> <smiles>CCCCCCCCCCCCCCCCCCCCCC[C@@H](O)C(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](OS([O-])(=O)=O)[C@H]1O)[C@H](O)\C=C\CCCCCCCCCCCCC</smiles> is A galactosylceramide sulfate(1-) in which the ceramide N-acyl group is specified as (R)-2-hydroxylignoceroyl. It is also related to or classified as beta-D-galactosylceramide sulfate(1-)  .


The molecule <smiles>CCCCCCCCCCCCCCCCCCCCCC[C@@H](O)C(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)[C@H](O)\C=C\CCCCCCCCCCCCC</smiles> <smiles>CCCCCCCCCCCCCCCCCCCCCC[C@@H](O)C(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)[C@H](O)\C=C\CCCCCCCCCCCCC</smiles> is A D-galactosyl-N-acylsphingosine in which the ceramide N-acyl group is specified as (R)-2-hydroxylignoceroyl. Its functional parent is (R)-2-hydroxylignoceric acid . It is also related to or classified as N-acyl-beta-D-galactosylsphingosine  .


The molecule <smiles>[H][C@]12COC(=O)[C@]1([H])[C@H](C1=CC(OC)=C(O)C(OC)=C1)C1=C(C=C3OCOC3=C1)[C@H]2O[C@@H]1O[C@]2([H])CO[C@]([H])(O[C@@]2([H])[C@H](O)[C@H]1O)C1=CC=CS1</smiles> <smiles>[H][C@]12COC(=O)[C@]1([H])[C@H](C1=CC(OC)=C(O)C(OC)=C1)C1=C(C=C3OCOC3=C1)[C@H]2O[C@@H]1O[C@]2([H])CO[C@]([H])(O[C@@]2([H])[C@H](O)[C@H]1O)C1=CC=CS1</smiles> is A furonaphthodioxole that is a synthetic derivative of podophyllotoxin with anti-tumour activity; causes single- and double-stranded breaks in DNA and DNA-protein cross-links and prevents repair by topoisomerase II binding. It has the role of antineoplastic agent . It has the role of EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor . Its functional parent is podophyllotoxin . It is also related to or classified as beta-D-glucoside  .  It is also related to or classified as phenols  .  It is also related to or classified as gamma-lactone  . It is also related to or classified as furonaphthodioxole  . It is also related to or classified as thiophenes , aromatic ether , cyclic acetal , monosaccharide derivative .


The molecule <smiles>Nc1[n+]2cnc3n(cnc13)[C@@H]1O[C@H](COP([O-])(=O)OP([O-])(=O)OC[C@H]3O[C@@H]2[C@H](O)[C@@H]3O)[C@@H](O)[C@H]1OP([O-])([O-])=O</smiles> <smiles>Nc1[n+]2cnc3n(cnc13)[C@@H]1O[C@H](COP([O-])(=O)OP([O-])(=O)OC[C@H]3O[C@@H]2[C@H](O)[C@@H]3O)[C@@H](O)[C@H]1OP([O-])([O-])=O</smiles> is A nucleotide-sugar oxoanion obtained by deprotonation of the diphosphate OH groups of 2'-phospho-cyclic ADP-ribose. Its functional parent is cyclic ADP-beta-D-ribose(2-) . It is also related to or classified as nucleotide-sugar oxoanion .


The molecule <smiles>CCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)[C@H](O)\C=C\CCCCCCCCCCCCC</smiles> <smiles>CCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)[C@H](O)\C=C\CCCCCCCCCCCCC</smiles> is A D-galactosyl-N-acylsphingosine where the ceramide N-acyl group is docosananoyl and the D-galactosyl component has beta anomeric configuration. It has the role of mouse metabolite . Its functional parent is docosanoic acid . It is also related to or classified as N-acyl-beta-D-galactosylsphingosine  .


The molecule <smiles>CS(C)=O.CC(=O)Nc1cccc(c1)-n1c2c(C)c(=O)n(C)c(Nc3ccc(I)cc3F)c2c(=O)n(C2CC2)c1=O</smiles> <smiles>CS(C)=O.CC(=O)Nc1cccc(c1)-n1c2c(C)c(=O)n(C)c(Nc3ccc(I)cc3F)c2c(=O)n(C2CC2)c1=O</smiles> is an addition compound obtained by combining equimolar amounts of trametinib and dimethyl sulfoxide. Used for the treatment of patients with unresectable or metastatic melanoma with BRAF V600E or V600K mutations, and who have not received prior BRAF inhibitor treatment. It has the role of antineoplastic agent . It has the role of EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor . It is also related to or classified as addition compound .


The molecule <smiles>CCCCCCCCCCCCCC[C@H](O)C(O)=O</smiles> <smiles>CCCCCCCCCCCCCC[C@H](O)C(O)=O</smiles> is the S-enantiomer of 2-hydroxypalmitic acid. It is a conjugate acid of (S)-2-hydroxyhexadecanoate . It is also related to or classified as (2S)-2-hydroxy monocarboxylic acid  . It is also related to or classified as 2-hydroxyhexadecanoic acid  .


The molecule <smiles>COc1ccc(C[C@H]2[NH+](C)CCc3cc(OC)c(OC)cc23)cc1O</smiles> <smiles>COc1ccc(C[C@H]2[NH+](C)CCc3cc(OC)c(OC)cc23)cc1O</smiles> is the (R)-enantiomer of laudanine(1+). It is a conjugate acid of (R)-laudanine . It is also related to or classified as laudanine(1+)  .


The molecule <smiles>O[C@H]1[C@@H](O)[C@@H](Oc2ccccc2)O[C@@H]1COP([O-])([O-])=O</smiles> <smiles>O[C@H]1[C@@H](O)[C@@H](Oc2ccccc2)O[C@@H]1COP([O-])([O-])=O</smiles> is an organophosphate oxoanion obtained by deprotonation of the phosphate OH groups of phenyl 5-phospho-alpha-D-ribofuranoside. It is also related to or classified as organophosphate oxoanion .


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](CO)O[C@H]1O[C@@H]1[C@@H](CO)O[C@H](O[C@@H]2[C@H](O)C[C@@](O)(O[C@@H]2[C@H](O)CO)C(O)=O)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]1O</smiles> <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](CO)O[C@H]1O[C@@H]1[C@@H](CO)O[C@H](O[C@@H]2[C@H](O)C[C@@](O)(O[C@@H]2[C@H](O)CO)C(O)=O)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]1O</smiles> is A branched amino pentasaccharide consisting of an N-acetyl-alpha-D-galactosaminyl-(1->2)-beta-D-mannosyl-(1->4)-alpha-D-mannosyl-(1->5)-3-deoxy-alpha-D-manno-oct-2-ulosonic acid tetrasaccharide chain, to the alpha-D-mannosyl residue of which is also linked beta(1->2) a D-glucosyl residue. Epitope of Francisella tularensis. It has the role of epitope . It is also related to or classified as amino pentasaccharide .


The molecule <smiles>OC(=O)\C=C/C(O)=O.OC(=O)\C=C/C(O)=O.CN(C)C\C=C\C(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1O[C@H]1CCOC1</smiles> <smiles>OC(=O)\C=C/C(O)=O.OC(=O)\C=C/C(O)=O.CN(C)C\C=C\C(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1O[C@H]1CCOC1</smiles> is A maleate salt obtained by combining afatinib with two molar equivalents of maleic acid. Used for the first-line treatment of patients with metastatic non-small cell lung cancer. It has the role of antineoplastic agent . It has the role of tyrosine kinase inhibitor . It is also related to or classified as maleate salt .


The molecule <smiles>COC(=O)\C=C\C(=O)OC</smiles> <smiles>COC(=O)\C=C\C(=O)OC</smiles> is an enoate ester resulting from the formal condensation of both carboxy groups of fumaric acid with methanol. Used for treatment of adults with relapsing forms of multiple sclerosis. It has the role of antipsoriatic . It has the role of immunomodulator . Its functional parent is methanol . Its functional parent is fumaric acid . It is also related to or classified as methyl ester  . It is also related to or classified as diester  . It is also related to or classified as enoate ester  .


The molecule <smiles>C[C@@H]1CCO[C@H]2Cn3cc(C(=O)NCc4ccc(F)cc4F)c(=O)c(O)c3C(=O)N12</smiles> <smiles>C[C@@H]1CCO[C@H]2Cn3cc(C(=O)NCc4ccc(F)cc4F)c(=O)c(O)c3C(=O)N12</smiles> is A monocarboxylic acid amide obtained by formal condensation of the carboxy group of (4R,12aS)-7-hydroxy-4-methyl-6,8-dioxo-3,4,6,8,12,12a-hexahydro-2H-pyrido[1',2':4,5]pyrazino[2,1-b][1,3]oxazine-9-carboxylic acid with the amino group of 2,4-difluorobenzylamine. Used (as its sodium salt) for treatment of HIV-1. It has the role of HIV-1 integrase inhibitor . It is a conjugate acid of dolutegravir(1-) . It is also related to or classified as secondary carboxamide  .  It is also related to or classified as monocarboxylic acid amide  . It is also related to or classified as difluorobenzene  . It is also related to or classified as organic heterotricyclic compound .


The molecule <smiles>Cc1ccc(Oc2ccccc2-c2csc(N=C3NCCCN3)n2)c(C)c1</smiles> <smiles>Cc1ccc(Oc2ccccc2-c2csc(N=C3NCCCN3)n2)c(C)c1</smiles> is A member of the class of  guanidines that is tetrahydropyrimidin-2(1H)-imine in which the hydrogen of the imino group is replaced by a thiazol-2-yl group which in turn is substituted by a 2-(2,4-dimethylphenoxy)phenyl group at position 4. It has been used for the topical treatment of fungal nail infections. It has the role of antifungal drug . It is also related to or classified as guanidines , aromatic ether , 1,3-thiazoles .


The molecule <smiles>C[C@@H]1CCO[C@H]2Cn3cc(C(=O)NCc4ccc(F)cc4F)c(=O)c([O-])c3C(=O)N12</smiles> <smiles>C[C@@H]1CCO[C@H]2Cn3cc(C(=O)NCc4ccc(F)cc4F)c(=O)c([O-])c3C(=O)N12</smiles> is an organic anion that is the conjugate base of dolutegravir, obtained by deptotonation of the 7-hydroxy group. It is also related to or classified as organic anion .


The molecule <smiles>CNC(NCCSCc1csc(CN(C)C)n1)=C[N+]([O-])=O</smiles> <smiles>CNC(NCCSCc1csc(CN(C)C)n1)=C[N+]([O-])=O</smiles> is A member of the class of 1,3-thiazoles having a dimethylaminomethyl substituent at position 2 and an alkylthiomethyl moiety at position 4. It has the role of H2-receptor antagonist . It has the role of cholinergic drug . It has the role of anti-ulcer drug . It is also related to or classified as organic sulfide  . It is also related to or classified as carboxamidine  . It is also related to or classified as C-nitro compound , 1,3-thiazoles , tertiary amino compound .


The molecule <smiles>COC(=O)N(C)c1c(N)nc(nc1N)-c1nn(Cc2ccccc2F)c2ncccc12</smiles> <smiles>COC(=O)N(C)c1c(N)nc(nc1N)-c1nn(Cc2ccccc2F)c2ncccc12</smiles> is A carbamate ester that is the methyl ester of {4,6-diamino-2-[1-(2-fluorobenzyl)-1H-pyrazolo[3,4-b]pyridin-3-yl]pyrimidin-5-yl}methylcarbamic acid. It is used for treatment of chronic thromboembolic pulmonary hypertension and pulmonary arterial hypertension. It has the role of antihypertensive agent . It has the role of soluble guanylate cyclase activator .  It is also related to or classified as organofluorine compound  . It is also related to or classified as carbamate ester , aminopyrimidine , pyrazolopyridine .


The molecule <smiles>Br.Cc1ccc(Sc2ccccc2N2CCNCC2)c(C)c1</smiles> <smiles>Br.Cc1ccc(Sc2ccccc2N2CCNCC2)c(C)c1</smiles> is A hydrobromide obtained by combining vortioxetine with one molar equivalent of hydrobromic acid. Used for treatment of major depressive disorder. It has the role of antidepressant . It has the role of anxiolytic drug . It has the role of serotonergic agonist . It has the role of serotonergic antagonist . It is also related to or classified as hydrobromide  .


The molecule <smiles>Cc1ccc(Sc2ccccc2N2CC[NH2+]CC2)c(C)c1</smiles> <smiles>Cc1ccc(Sc2ccccc2N2CC[NH2+]CC2)c(C)c1</smiles> is an organic cation that is the conjugate acid of vortioxetine, obtained by protonation of the secondary amino function. It is a conjugate acid of vortioxetine . It is also related to or classified as organic cation , ammonium ion derivative .


The molecule <smiles>O=C(Nc1ncc(Cc2cccc3ccccc23)s1)C1CCCCC1</smiles> <smiles>O=C(Nc1ncc(Cc2cccc3ccccc23)s1)C1CCCCC1</smiles> is A monocarboxylic acid amide obtained by the formal condensation of cyclohexanecarboxylic acid with the amino group of 5-(naphthalen-1-ylmethyl)-1,3-thiazol-2-amine. It has been shown to exhibit antifungal activity. It has the role of antifungal agent . Its functional parent is cyclohexanecarboxylic acid .  It is also related to or classified as monocarboxylic acid amide  . It is also related to or classified as naphthalenes , 1,3-thiazoles .


The molecule <smiles>COc1ccc(cc1OC)-c1cc(=O)c2c(OC)c(OC)c(OC)c(OC)c2o1</smiles> <smiles>COc1ccc(cc1OC)-c1cc(=O)c2c(OC)c(OC)c(OC)c(OC)c2o1</smiles> is A methoxyflavone that is flavone substituted by methoxy groups at positions 5, 6, 7, 8, 3' and 4' respectively. It has the role of antineoplastic agent . It has the role of plant metabolite . Its functional parent is flavone . It is also related to or classified as methoxyflavone .


The molecule <smiles>COc1ccc(C[C@@H]2[NH+](C)CCc3cc(OC)c(OC)cc23)cc1O</smiles> <smiles>COc1ccc(C[C@@H]2[NH+](C)CCc3cc(OC)c(OC)cc23)cc1O</smiles> is the (S)-enantiomer of laudanine(1+). It is a conjugate acid of (S)-laudanine . It is also related to or classified as laudanine(1+)  .


The molecule <smiles>CC(=O)Nc1cccc(c1)-n1c2c(C)c(=O)n(C)c(Nc3ccc(I)cc3F)c2c(=O)n(C2CC2)c1=O</smiles> <smiles>CC(=O)Nc1cccc(c1)-n1c2c(C)c(=O)n(C)c(Nc3ccc(I)cc3F)c2c(=O)n(C2CC2)c1=O</smiles> is A pyridopyrimidine that is used (as its dimethyl sulfoxide addition compound) for the treatment of patients with unresectable or metastatic melanoma with BRAF V600E or V600K mutations, and who have not received prior BRAF inhibitor treatment. It has the role of anticoronaviral agent . It has the role of geroprotector . It has the role of antineoplastic agent . It has the role of EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor .    It is also related to or classified as organoiodine compound  . It is also related to or classified as organofluorine compound  . It is also related to or classified as pyridopyrimidine  . It is also related to or classified as acetamides , aromatic amine , ring assembly , cyclopropanes .


The molecule <smiles>[Na+].C[C@@H]1CCO[C@H]2Cn3cc(C(=O)NCc4ccc(F)cc4F)c(=O)c([O-])c3C(=O)N12</smiles> <smiles>[Na+].C[C@@H]1CCO[C@H]2Cn3cc(C(=O)NCc4ccc(F)cc4F)c(=O)c([O-])c3C(=O)N12</smiles> is an organic sodium salt that is the monosodium salt of dolutegravir. Used for treatment of HIV-1. It has the role of HIV-1 integrase inhibitor . It is also related to or classified as organic sodium salt .


The molecule <smiles>CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC([O-])=O</smiles> <smiles>CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC([O-])=O</smiles> is an ultra-long-chain fatty acid anion that is the conjugate base of dotriacontanoic acid (lacceroic acid), obtained by deprotonation of the carboxy group. Its functional parent is 3-oxodotriacontanoyl-CoA(4-) . It is also related to or classified as ultra-long-chain fatty acid anion  . It is also related to or classified as straight-chain saturated fatty acid anion .


The molecule <smiles>CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC([O-])=O</smiles> <smiles>CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC([O-])=O</smiles> is an ultra-long-chain fatty acid anion that is the conjugate base of tetratriacontanoic aacid, obtained by deprotonation of the carboxy group. It is also related to or classified as ultra-long-chain fatty acid anion  . It is also related to or classified as straight-chain saturated fatty acid anion .


The molecule <smiles>CCCCCCCCCCCCCCCCCCCCCCCC[C@@H](O)C([O-])=O</smiles> <smiles>CCCCCCCCCCCCCCCCCCCCCCCC[C@@H](O)C([O-])=O</smiles> is A hydroxy fatty acid anion that is the conjugate base of (R)-2-hydroxyoctacosanoic acid, obtained by deprotonation of the carboxy group. It is also related to or classified as very long-chain fatty acid anion  . It is also related to or classified as (2R)-2-hydroxy fatty acid anion  .


The molecule <smiles>C[C@H](O)[C@@H]1O[C@H](O)[C@H](O)[C@@H]1O</smiles> <smiles>C[C@H](O)[C@@H]1O[C@H](O)[C@H](O)[C@@H]1O</smiles> is an L-rhamnofuranose having beta-configuration at the anomeric centre. It is also related to or classified as L-rhamnofuranose  .


The molecule <smiles>C=1(C=2C=CC(N(C)C)=CC2)SC=3C=C(C)C=CC3[N+]1C.[Cl-]</smiles> <smiles>C=1(C=2C=CC(N(C)C)=CC2)SC=3C=C(C)C=CC3[N+]1C.[Cl-]</smiles> is an organic chloride salt having 2-[4-(dimethylamino)phenyl]-3,6-dimethyl-1,3-benzothiazol-3-ium as the counterion. It is widely used to visualise and quantify the presence of amyloids, both in vitro and in vivo. It has the role of geroprotector . It has the role of fluorochrome . It has the role of histological dye . It is also related to or classified as organic chloride salt .


The molecule <smiles>OCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC([O-])=O</smiles> <smiles>OCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC([O-])=O</smiles> is A hydroxy fatty acid anion that is the conjugate base of omega-hydroxydotriacontanoic acid, obtained by deprotonation of the carboxy group. It is also related to or classified as omega-hydroxy-ultra-long-chain fatty acid anion  .


The molecule <smiles>CCCCCCCCCCCCCCCCCCCCCC[C@@H](O)C(O)=O</smiles> <smiles>CCCCCCCCCCCCCCCCCCCCCC[C@@H](O)C(O)=O</smiles> is A very long-chain fatty acid that is lignoceric acid bearing an (R)-2-hydroxy substituent. Its functional parent is tetracosanoic acid . It is a conjugate acid of (R)-2-hydroxylignocerate . It is also related to or classified as 2-hydroxy fatty acid  . It is also related to or classified as very long-chain fatty acid  .


The molecule <smiles>CCCCCCCCCCCCCCCCCCCCCCCCCC[C@@H](O)C([O-])=O</smiles> <smiles>CCCCCCCCCCCCCCCCCCCCCCCCCC[C@@H](O)C([O-])=O</smiles> is A hydroxy fatty acid anion that is the conjugate base of (R)-2-hydroxyoctacosanoic acid, obtained by deprotonation of the carboxy group. It is also related to or classified as (2R)-2-hydroxy fatty acid anion  . It is also related to or classified as 2-hydroxyoctacosanoate  .


The molecule <smiles>[2H]C([2H])([2H])[C@]([2H])(N)C(O)=O</smiles> <smiles>[2H]C([2H])([2H])[C@]([2H])(N)C(O)=O</smiles> is A deuterated compound that is L-alanine in which the alpha-hydrogen and the three methyl hydrogens are replaced by deuterium. It is also related to or classified as L-alpha-amino acid  . It is also related to or classified as alanine  . It is also related to or classified as deuterated compound .


The molecule <smiles>OCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC([O-])=O</smiles> <smiles>OCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC([O-])=O</smiles> is A hydroxy fatty acid anion that is the conjugate base of omega-hydroxytriacontanoic acid, obtained by deprotonation of the carboxy group. It is also related to or classified as omega-hydroxy-ultra-long-chain fatty acid anion  . It is also related to or classified as ultra-long-chain fatty acid anion  .


The molecule <smiles>CN(C)c1ccc(cc1)-c1sc2cc(C)ccc2[n+]1C</smiles> <smiles>CN(C)c1ccc(cc1)-c1sc2cc(C)ccc2[n+]1C</smiles> is A benzothiazolium ion obtained by methylation of the thiazole nitrogen of 2-[4-(dimethylamino)phenyl]-6-methyl-1,3-benzothiazole; the cationic component of thioflavin T. It is also related to or classified as benzothiazolium ion .


The molecule <smiles>C[C@@H](C([O-])=O)[n+]1cc(O)ccc1CO</smiles> <smiles>C[C@@H](C([O-])=O)[n+]1cc(O)ccc1CO</smiles> is an iminium betaine that is L-alanine in which the amino group is replaced by a 5-hydroxy-2-(hydroxymethyl)pyridinium-1-yl moiety. It has the role of flavouring agent . Its functional parent is L-alanine . It is also related to or classified as iminium betaine .


The molecule <smiles>CCC1=C(CO)C2=Cc3c(C=C)c(C)c4C=C5[C@@H](C)[C@H](CCC(=O)OC\C=C(/C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C6=[N+]5[Mg--]5(n34)n3c(=CC1=[N+]25)c(C)c1C(=O)[C@H](C(=O)OC)C6=c31</smiles> <smiles>CCC1=C(CO)C2=Cc3c(C=C)c(C)c4C=C5[C@@H](C)[C@H](CCC(=O)OC\C=C(/C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C6=[N+]5[Mg--]5(n34)n3c(=CC1=[N+]25)c(C)c1C(=O)[C@H](C(=O)OC)C6=c31</smiles> is A member of the class of chlorophyll that is chlorophyll a substituted at position 7(1) by a hydroxy group. Its functional parent is chlorophyll a . It is a conjugate acid of 7(1)-hydroxychlorophyll a(1-) . It is also related to or classified as methyl ester  . It is also related to or classified as chlorophyll  .


The molecule <smiles>[2H]C([2H])(C(O)=O)C([2H])([2H])C([2H])(N)C(O)=O</smiles> <smiles>[2H]C([2H])(C(O)=O)C([2H])([2H])C([2H])(N)C(O)=O</smiles> is A deuterated compound that is glutamic acid in which the hydrogens at positions 2, 3, 3, 4 and 4 are replaced by deuterium. It is also related to or classified as deuterated compound , non-proteinogenic alpha-amino acid .


The molecule <smiles>[2H]C([2H])(C(O)=O)C(O)(C(O)=O)C([2H])([2H])C(O)=O</smiles> <smiles>[2H]C([2H])(C(O)=O)C(O)(C(O)=O)C([2H])([2H])C(O)=O</smiles> is A deuterated compound that is citric acid in which the four methylene hydrogens are replaced by deuterium. It is also related to or classified as tertiary alcohol  . It is also related to or classified as tricarboxylic acid , deuterated compound .


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> <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-L-rhamnopyranosyl moiety at position 7 via a glycosidic linkage. It has the role of metabolite . Its functional parent is alpha-L-rhamnopyranose . It is also related to or classified as alpha-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>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> <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-D-fucopyranosyl moiety at position 3 via a glycosidic linkage. It has the role of metabolite . Its functional parent is beta-D-fucose . It is also related to or classified as beta-D-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>CCCCCCCCCCCCCCCCOC[C@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(C)=O</smiles> <smiles>CCCCCCCCCCCCCCCCOC[C@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(C)=O</smiles> is A 1-alkyl-2-acetyl-3-acyl-sn-glycerol in which the alkyl and acyl groups are specified as palmityl and oleoyl. Its functional parent is oleic acid . Its functional parent is 1-O-palmityl-2-acetyl-sn-glycerol . It is also related to or classified as 1-alkyl-2-acetyl-3-acyl-sn-glycerol  .


The molecule <smiles>C[C@@H](O)[C@H]1O[C@@H](O)[C@@H](O)[C@H]1O</smiles> <smiles>C[C@@H](O)[C@H]1O[C@@H](O)[C@@H](O)[C@H]1O</smiles> is A D-rhamnofuranose having beta-configuration at the anomeric centre. It has the role of metabolite . It is also related to or classified as D-rhamnofuranose  .


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> <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 beta-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 beta-L-rhamnofuranoside  . It is also related to or classified as monosaccharide derivative , quercetin O-glycoside .


The molecule <smiles>CCCCCCCCCCCCCCCCOCC(O)COC(=O)CCCCCCC\C=C/CCCCCCCC</smiles> <smiles>CCCCCCCCCCCCCCCCOCC(O)COC(=O)CCCCCCC\C=C/CCCCCCCC</smiles> is A 1-alkyl-3-acylglycerol in which the alkyl and acyl groups are specified as palmityl (hexadecyl) and oleoyl. Its functional parent is oleic acid . Its functional parent is 1-O-palmitylglycerol . It is also related to or classified as 1-alkyl-3-acylglycerol  .


The molecule <smiles>[2H]c1c([2H])c([2H])c(CC(N)C(O)=O)c([2H])c1[2H]</smiles> <smiles>[2H]c1c([2H])c([2H])c(CC(N)C(O)=O)c([2H])c1[2H]</smiles> is A deuterated compound that is phenylalanine in which the five aromatic hydrogens are replaced by deuterium. It is also related to or classified as deuterated compound , non-proteinogenic alpha-amino acid .


The molecule <smiles>CCCCCCCCCCCCCCCC[C@@H](O)C(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](OS(O)(=O)=O)[C@H]1O)[C@H](O)\C=C\CCCCCCCCCCCCC</smiles> <smiles>CCCCCCCCCCCCCCCC[C@@H](O)C(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](OS(O)(=O)=O)[C@H]1O)[C@H](O)\C=C\CCCCCCCCCCCCC</smiles> is A galactosylceramide sulfate in which the sulfo group is located at position 3 and the ceramide N-acyl group is specified as (R)-2-hydroxystearoyl. It is a conjugate acid of 1-(3-O-sulfo-beta-D-galactosyl)-N-[(2R)-2-hydroxystearoyl]sphingosine(1-) . It is also related to or classified as galactosylceramide sulfate  . It is also related to or classified as N-acyl-beta-D-galactosylsphingosine  .


The molecule <smiles>CCCCCCCC\C=C/CCCCCCCC(=O)NCCOC(=O)CCCCCCC\C=C/CCCCCCCC</smiles> <smiles>CCCCCCCC\C=C/CCCCCCCC(=O)NCCOC(=O)CCCCCCC\C=C/CCCCCCCC</smiles> is A fatty acid ester obtained by formal condensation of the carboxy group of oleic acid with the hydroxy group of oleoyl ethanolamide. Its functional parent is ethanolamine . Its functional parent is oleic acid . It is also related to or classified as fatty acid ester  . It is also related to or classified as N,O-diacylethanolamine  . It is also related to or classified as fatty amide .


The molecule <smiles>CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)NC(C)=O</smiles> <smiles>CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)NC(C)=O</smiles> is A 1-O-acyl-N-acylsphingosine in which the N- and O-acyl groups are specified as acetyl and oleoyl respectively. Its functional parent is oleic acid . Its functional parent is N-acetylsphingosine . It is also related to or classified as 1-O-acyl-N-acetylsphingosine  .


The molecule <smiles>CCCCCCCCCCCCCCCCOC[C@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)OC</smiles> <smiles>CCCCCCCCCCCCCCCCOC[C@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)OC</smiles> is an alkylglycerol that is 1-palmityl-2-methyl-sn-glycerol carrying an additional oleoyl substituent at position 3. Its functional parent is oleic acid . It is also related to or classified as monoacylglycerol  . It is also related to or classified as alkylglycerol .


The molecule <smiles>CCCCCCCC\C=C/CCCCCCCC(=O)O[C@H](CO)COP([O-])(=O)OCC[N+](C)(C)C</smiles> <smiles>CCCCCCCC\C=C/CCCCCCCC(=O)O[C@H](CO)COP([O-])(=O)OCC[N+](C)(C)C</smiles> is A lysophosphatidylcholine 18:1 in which the acyl group is specified as oleoyl and is located at position 2. Its functional parent is oleic acid . It is also related to or classified as 2-acyl-sn-glycero-3-phosphocholine  . It is also related to or classified as oleoyl-sn-glycero-3-phosphocholine  .


The molecule <smiles>CCCCCCCCCCCCCCCCOC[C@H](CO)OC</smiles> <smiles>CCCCCCCCCCCCCCCCOC[C@H](CO)OC</smiles> is an alkylglycerol having palmityl (hexadecyl) and methyl groups located at position2 1 and 2 respectively (the S-enantiomer). It is also related to or classified as 1-alkyl-2-methyl-sn-glycerol  .


The molecule <smiles>CCCCCCCCCCCCCCCCCCCC[C@@H](O)C(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](OS(O)(=O)=O)[C@H]1O)[C@H](O)\C=C\CCCCCCCCCCCCC</smiles> <smiles>CCCCCCCCCCCCCCCCCCCC[C@@H](O)C(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](OS(O)(=O)=O)[C@H]1O)[C@H](O)\C=C\CCCCCCCCCCCCC</smiles> is A galactosylceramide sulfate in which the sulfo group is located at position 3 and the ceramide N-acyl group is specified as (R)-2-hydroxybehenoyl. It is a conjugate acid of 1-(3-O-sulfo-beta-D-galactosyl)-N-[(2R)-2-hydroxybehenoyl]sphingosine(1-) . It is also related to or classified as galactosylceramide sulfate  . It is also related to or classified as N-acyl-beta-D-galactosylsphingosine  .


The molecule <smiles>CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)COP([O-])(=O)OCC[N+](C)(C)C</smiles> <smiles>CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)COP([O-])(=O)OCC[N+](C)(C)C</smiles> is A phosphatidylcholine 36:1 in which the phosphatidyl acyl groups at positions 1 and 2 are specified as oleoyl and stearoyl respectively. Its functional parent is oleic acid . Its functional parent is octadecanoic acid . It is also related to or classified as phosphatidylcholine 36:1  .


The molecule <smiles>CCCCCCCCCCCCCCCC(=O)OC[C@H](NC(C)=O)[C@H](O)\C=C\CCCCCCCCCCCCC</smiles> <smiles>CCCCCCCCCCCCCCCC(=O)OC[C@H](NC(C)=O)[C@H](O)\C=C\CCCCCCCCCCCCC</smiles> is A 1-O-acyl-N-acylsphingosine in which the N- and O-acyl groups are specified as acetyl and palmitoyl (hexadecanoyl) respectively. Its functional parent is hexadecanoic acid . Its functional parent is N-acetylsphingosine . It is also related to or classified as 1-O-acyl-N-acetylsphingosine  .


The molecule <smiles>O[C@H]([C@H](OC(=O)\C=C\c1ccc(O)c(O)c1)C(O)=O)C(O)=O</smiles> <smiles>O[C@H]([C@H](OC(=O)\C=C\c1ccc(O)c(O)c1)C(O)=O)C(O)=O</smiles> is A cinnamate ester obtained by formal condensation of the carboxy group of trans-caffeic acid with one of the hydroxy groups of  meso-tartaric acid. It has the role of metabolite . Its functional parent is meso-tartaric acid . Its functional parent is trans-caffeic acid . It is also related to or classified as catechols  . It is also related to or classified as dicarboxylic acid , cinnamate ester , tetraric acid derivative .


The molecule <smiles>CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)O[C@H](CO)COP([O-])(=O)OCC[N+](C)(C)C</smiles> <smiles>CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)O[C@H](CO)COP([O-])(=O)OCC[N+](C)(C)C</smiles> is A lysophosphatidylcholine 20:4 in which the acyl group is specified as arachidonoyl and is located at position 2. Its functional parent is arachidonic acid . It is also related to or classified as lysophosphatidylcholine(0:0/20:4)  .


The molecule <smiles>CN[C@H](CC(C)C)C(=O)N[C@@H]1[C@H](O)c2ccc(Oc3cc4cc(Oc5ccc(cc5Cl)[C@@H](O[C@H]5C[C@](C)(N)[C@@H](O)[C@H](C)O5)[C@@H]5NC(=O)[C@H](NC(=O)[C@@H]4NC(=O)[C@H](CC(N)=O)NC1=O)c1ccc(O)c(c1)-c1c(O)cc(O)cc1[C@H](NC5=O)C(O)=O)c3O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c(Cl)c2</smiles> <smiles>CN[C@H](CC(C)C)C(=O)N[C@@H]1[C@H](O)c2ccc(Oc3cc4cc(Oc5ccc(cc5Cl)[C@@H](O[C@H]5C[C@](C)(N)[C@@H](O)[C@H](C)O5)[C@@H]5NC(=O)[C@H](NC(=O)[C@@H]4NC(=O)[C@H](CC(N)=O)NC1=O)c1ccc(O)c(c1)-c1c(O)cc(O)cc1[C@H](NC5=O)C(O)=O)c3O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c(Cl)c2</smiles> is A glycopeptide that is isolated from Amycolatopsis orientalis. It has the role of antimicrobial agent . It has the role of bacterial metabolite . Its functional parent is vancomycin aglycone . It is also related to or classified as glycopeptide  .   It is also related to or classified as organochlorine compound  . It is also related to or classified as heterodetic cyclic peptide , polyphenol , cyclic ether , monosaccharide derivative .


The molecule <smiles>CCCCCCCC\C=C/CCCCCCCC(=O)OCCNC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC</smiles> <smiles>CCCCCCCC\C=C/CCCCCCCC(=O)OCCNC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC</smiles> is A fatty acid ester obtained by formal condensation of the carboxy group of oleic acid with the hydroxy group of anandamide. Its functional parent is oleic acid . Its functional parent is anandamide .  It is also related to or classified as fatty acid ester  . It is also related to or classified as fatty amide .


The molecule <smiles>CCCCCCCCCCCCCCCCCC(=O)O[C@H](CO)COP([O-])(=O)OCC[N+](C)(C)C</smiles> <smiles>CCCCCCCCCCCCCCCCCC(=O)O[C@H](CO)COP([O-])(=O)OCC[N+](C)(C)C</smiles> is A lysophosphatidylcholine 18:0 in which the acyl group is specified as stearoyl (octadecanoyl) and is located at position 2. It has the role of human metabolite . Its functional parent is octadecanoic acid . It is also related to or classified as lysophosphatidylcholine(0:0/18:0)  .


The molecule <smiles>CCCCC\C=C/C\C=C/CCCCCCCC(=O)O[C@H](CO)COP([O-])(=O)OCC[N+](C)(C)C</smiles> <smiles>CCCCC\C=C/C\C=C/CCCCCCCC(=O)O[C@H](CO)COP([O-])(=O)OCC[N+](C)(C)C</smiles> is A lysophosphatidylcholine 18:2 in which the acyl group is specified as linoleoyl and is located at position 2. Its functional parent is linoleic acid . It is also related to or classified as linoleoyl-sn-glycero-3-phosphocholine  . It is also related to or classified as lysophosphatidylcholine(0:0/18:2)  .


The molecule <smiles>CCCCCCCCCCCCCCCCCC(=O)OC[C@H](NC(C)=O)[C@H](O)\C=C\CCCCCCCCCCCCC</smiles> <smiles>CCCCCCCCCCCCCCCCCC(=O)OC[C@H](NC(C)=O)[C@H](O)\C=C\CCCCCCCCCCCCC</smiles> is A 1-O-acyl-N-acylsphingosine in which the N- and O-acyl groups are specified as acetyl and stearoyl (octadecanoyl) respectively. Its functional parent is octadecanoic acid . Its functional parent is N-acetylsphingosine . It is also related to or classified as 1-O-acyl-N-acetylsphingosine  .


The molecule <smiles>CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)NC(C)=O</smiles> <smiles>CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)NC(C)=O</smiles> is A 1-O-acyl-N-acylsphingosine in which the N- and O-acyl groups are specified as acetyl and (4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoyl respectively. Its functional parent is all-cis-docosa-4,7,10,13,16,19-hexaenoic acid . Its functional parent is N-acetylsphingosine . It is also related to or classified as 1-O-acyl-N-acetylsphingosine  .


The molecule <smiles>CCCCCCCC\C=C/CCCCCCCC(=O)O[C@H](CO)COP([O-])(=O)OCC[NH3+]</smiles> <smiles>CCCCCCCC\C=C/CCCCCCCC(=O)O[C@H](CO)COP([O-])(=O)OCC[NH3+]</smiles> is A 2-acyl-sn-glycero-3-phosphoethanolamine zwitterion obtained by transfer of a proton from the phosphate to the amino group of 2-oleoyl-sn-glycero-3-phosphoethanolamine; major species at pH 7.3. Its functional parent is oleic acid . It is also related to or classified as oleoyl-sn-glycero-3-phosphoethanolamine zwitterion  . It is also related to or classified as 2-acyl-sn-glycero-3-phosphoethanolamine zwitterion  . It is also related to or classified as lysophosphatidylethanolamine zwitterion 18:1  .


The molecule <smiles>O[C@@H]1O[C@H](COC(=O)\C=C\c2ccc(O)cc2)[C@@H](O)[C@H](O)[C@H]1O</smiles> <smiles>O[C@@H]1O[C@H](COC(=O)\C=C\c2ccc(O)cc2)[C@@H](O)[C@H](O)[C@H]1O</smiles> is an O-acyl carbohydrate that is beta-D-glucose bearing a trans-4-coumaroyl substituent at position 6. It has the role of metabolite . Its functional parent is beta-D-glucose . Its functional parent is trans-4-coumaric acid . It is also related to or classified as phenols  . It is also related to or classified as cinnamate ester , O-acyl carbohydrate .


The molecule <smiles>CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCC(=O)O[C@H](CO)COP([O-])(=O)OCC[N+](C)(C)C</smiles> <smiles>CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCC(=O)O[C@H](CO)COP([O-])(=O)OCC[N+](C)(C)C</smiles> is A lysophosphatidylcholine 22:6 in which the acyl group is specified as (4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoyl and is located at position 2. Its functional parent is all-cis-docosa-4,7,10,13,16,19-hexaenoic acid . It is also related to or classified as 2-docosahexaenoyl-sn-glycero-3-phosphocholine  .


The molecule <smiles>CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)NC(C)=O</smiles> <smiles>CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)NC(C)=O</smiles> is A 1-O-acyl-N-acylsphingosine in which the N- and O-acyl groups are specified as acetyl and arachidonoyl respectively. Its functional parent is arachidonic acid . Its functional parent is N-acetylsphingosine . It is also related to or classified as 1-O-acyl-N-acetylsphingosine  .


The molecule <smiles>CCCCC\C=C/C\C=C/CCCCCCCC(=O)O[C@H](CO)COP([O-])(=O)OCC[NH3+]</smiles> <smiles>CCCCC\C=C/C\C=C/CCCCCCCC(=O)O[C@H](CO)COP([O-])(=O)OCC[NH3+]</smiles> is A 2-acyl-sn-glycero-3-phosphoethanolamine zwitterion obtained by transfer of a proton from the phosphate to the amino group of 2-linoleoyl-sn-glycero-3-phosphoethanolamine; major species at pH 7.3. Its functional parent is linoleic acid . It is also related to or classified as 2-acyl-sn-glycero-3-phosphoethanolamine zwitterion  . It is also related to or classified as lysophosphatidylethanolamine zwitterion 18:2  .


The molecule <smiles>CCCCCCCCCCCCCCCC(=O)O[C@H](CO)COP([O-])(=O)OCC[N+](C)(C)C</smiles> <smiles>CCCCCCCCCCCCCCCC(=O)O[C@H](CO)COP([O-])(=O)OCC[N+](C)(C)C</smiles> is A lysophosphatidylcholine 16:0 in which the acyl group is specified as palmitoyl (hexadecanoyl) and is located at position 2. Its functional parent is hexadecanoic acid . It is also related to or classified as lysophosphatidylcholine(0:0/16:0)  . It is also related to or classified as lysophosphatidylcholine 16:0  .


The molecule <smiles>O[C@H]([C@H](OC(=O)\C=C/c1ccc(O)c(O)c1)C(O)=O)C(O)=O</smiles> <smiles>O[C@H]([C@H](OC(=O)\C=C/c1ccc(O)c(O)c1)C(O)=O)C(O)=O</smiles> is A cinnamate ester obtained by formal condensation of the carboxy group of cis-caffeic acid with one of the hydroxy groups of meso-tartaric acid. It has the role of metabolite . Its functional parent is meso-tartaric acid . Its functional parent is cis-caffeic acid . It is also related to or classified as catechols  . It is also related to or classified as dicarboxylic acid , cinnamate ester , tetraric acid derivative .


The molecule <smiles>OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](OC(=O)\C=C\c2ccc(O)cc2)[C@@H]1O</smiles> <smiles>OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](OC(=O)\C=C\c2ccc(O)cc2)[C@@H]1O</smiles> is an O-acyl carbohydrate that is beta-D-glucose bearing a trans-4-coumaroyl substituent at position 4. It has the role of metabolite . Its functional parent is beta-D-glucose . Its functional parent is trans-4-coumaric acid . It is also related to or classified as phenols  . It is also related to or classified as cinnamate ester , O-acyl carbohydrate .


The molecule <smiles>Nc1[n+]2cnc3n(cnc13)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OC[C@H]3O[C@@H]2[C@H](O)[C@@H]3O)[C@@H](O)[C@H]1OP(O)(O)=O</smiles> <smiles>Nc1[n+]2cnc3n(cnc13)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OC[C@H]3O[C@@H]2[C@H](O)[C@@H]3O)[C@@H](O)[C@H]1OP(O)(O)=O</smiles> is A cyclic purine nucleotide that is cyclic ADP-ribose substituted at position O-2' by a phospho group. It has the role of metabolite . It has the role of calcium channel agonist . It has the role of signalling molecule . Its functional parent is cyclic ADP-beta-D-ribose . It is a conjugate acid of 2'-phospho-cyclic ADP-ribose(3-) . It is also related to or classified as nucleotide-sugar  . It is also related to or classified as cyclic purine nucleotide .


The molecule <smiles>O[C@H]1O[C@H](COC(=O)\C=C\c2ccc(O)cc2)[C@@H](O)[C@H](O)[C@H]1O</smiles> <smiles>O[C@H]1O[C@H](COC(=O)\C=C\c2ccc(O)cc2)[C@@H](O)[C@H](O)[C@H]1O</smiles> is an O-acyl carbohydrate that is alpha-D-glucose bearing a trans-4-coumaroyl substituent at position 6. It has the role of metabolite . Its functional parent is alpha-D-glucose . Its functional parent is trans-4-coumaric acid . It is also related to or classified as phenols  . It is also related to or classified as cinnamate ester , O-acyl carbohydrate .


The molecule <smiles>CCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](OS(O)(=O)=O)[C@H]1O)[C@H](O)\C=C\CCCCCCCCCCCCC</smiles> <smiles>CCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](OS(O)(=O)=O)[C@H]1O)[C@H](O)\C=C\CCCCCCCCCCCCC</smiles> is A galactosylceramide sulfate in which the sulfo group is located at position 3 and the ceramide N-acyl group is specified as docosanoyl. It is a conjugate acid of 1-(3-O-sulfo-beta-D-galactosyl)-N-docosanoylsphingosine(1-) . It is also related to or classified as galactosylceramide sulfate  . It is also related to or classified as N-acyl-beta-D-galactosylsphingosine  .


The molecule <smiles>O[C@@H]1[C@@H](COP(O)(O)=O)O[C@H](Oc2ccccc2)[C@@H]1O</smiles> <smiles>O[C@@H]1[C@@H](COP(O)(O)=O)O[C@H](Oc2ccccc2)[C@@H]1O</smiles> is A ribose derivative that is the 5-phospho derivative of phenyl alpha-D-ribofuranoside. Its functional parent is alpha-D-ribose .  It is also related to or classified as pentoside  . It is also related to or classified as ribose monophosphate , ribose derivative .


The molecule <smiles>[H]C(=O)\C=C\CC\C=C/CC</smiles> <smiles>[H]C(=O)\C=C\CC\C=C/CC</smiles> is an enal that is (2E,6Z)-nona-2,6-diene substituted by an oxo group at position 1. It has the role of plant metabolite . It is also related to or classified as trans-2,3-unsaturated fatty aldehyde  . It is also related to or classified as enal  .


The molecule <smiles>CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)NC(C)=O</smiles> <smiles>CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)NC(C)=O</smiles> is A 1-O-acyl-N-acylsphingosine in which the N- and O-acyl groups are specified as acetyl and linoleoyl respectively. Its functional parent is linoleic acid . Its functional parent is N-acetylsphingosine . It is also related to or classified as 1-O-acyl-N-acetylsphingosine  .


The molecule <smiles>OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](OC(=O)\C=C/c2ccc(O)cc2)[C@@H]1O</smiles> <smiles>OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](OC(=O)\C=C/c2ccc(O)cc2)[C@@H]1O</smiles> is an O-acyl carbohydrate that is beta-D-glucose bearing a cis-4-coumaroyl substituent at position 3. It has the role of metabolite . Its functional parent is beta-D-glucose . Its functional parent is cis-4-coumaric acid . It is also related to or classified as phenols  . It is also related to or classified as cinnamate ester , O-acyl carbohydrate .


The molecule <smiles>CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@H]1O[C@H](COC(=O)Nc2ccncc2)[C@H](O)[C@H](O)[C@H]1O)[C@H](O)[C@H](O)CCCCCCCCCCCCCC</smiles> <smiles>CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@H]1O[C@H](COC(=O)Nc2ccncc2)[C@H](O)[C@H](O)[C@H]1O)[C@H](O)[C@H](O)CCCCCCCCCCCCCC</smiles> is A glycophytoceramide having a 6-O-(4-pyridylcarbamoyl)-alpha-D-galactopyranosyl residue at the O-1 position and an hexacosanoyl group attached to the nitrogen. It is also related to or classified as glycophytoceramide .


The molecule <smiles>COc1ccc(CC2N(C)CCc3cc(OC)c(OC)cc23)cc1O</smiles> <smiles>COc1ccc(CC2N(C)CCc3cc(OC)c(OC)cc23)cc1O</smiles> is A benzyltetrahydroisoquinoline that is norlaudanosoline carrying four methyl substituents at positions N-1, O-6, O-7 and O-4'. Its functional parent is norlaudanosoline .   It is also related to or classified as phenols  . It is also related to or classified as benzylisoquinoline alkaloid , benzyltetrahydroisoquinoline , aromatic ether .


The molecule <smiles>O[C@H]([C@H](OC(=O)\C=C/c1ccc(O)cc1)C(O)=O)C(O)=O</smiles> <smiles>O[C@H]([C@H](OC(=O)\C=C/c1ccc(O)cc1)C(O)=O)C(O)=O</smiles> is A cinnamate ester obtained by formal condensation of the carboxy group of cis-coumaric acid with one of the hydroxy groups of meso-tartaric acid. It has the role of metabolite . Its functional parent is meso-tartaric acid . Its functional parent is cis-4-coumaric acid . It is also related to or classified as p-coutaric acid  .


The molecule <smiles>COc1ccc(C[C@@H]2N(C)CCc3cc(OC)c(OC)cc23)cc1O</smiles> <smiles>COc1ccc(C[C@@H]2N(C)CCc3cc(OC)c(OC)cc23)cc1O</smiles> is the (S)-enantiomer of laudanine. Its functional parent is (S)-norlaudanosoline . It is also related to or classified as laudanine  .