Year: 2017

Common NameCyanidin 3-O-(6-acetyl-arabinoside)DescriptionCyanidin 3-O-(6-acetyl-arabinoside) is a polyphenol compound found in foods of plant origin (PMID: 20428313 ).Cyanidin 3-O-(6-acetyl-arabinoside) belongs to the family of Anthocyanidins. These are sugar-free counterparts of anthocyaninsA…

Common NameCyanidin 3-(6-succinyl-glucoside)DescriptionCyanidin 3-(6-succinyl-glucoside) is found in strawberry. Cyanidin 3-(6-succinyl-glucoside) is a constituent of Phragmites australis [CCD].Cyanidin 3-(6-succinyl-glucoside) belongs to the family of Anthocyanins. These are organic compounds containing a…

Common NameCyanidin 3-(6-acetyl-galactoside)DescriptionCyanidin 3-(6-acetyl-galactoside) is found in highbush blueberry. Cyanidin 3-(6-acetyl-galactoside) is a constituent of the leaves of Nymphaea alba [CCD].Cyanidin 3-(6-acetyl-galactoside) belongs to the family of Anthocyanins. These are…

Common NameMliberrofuran PDescriptionMliberrofuran P is found in fruits. Mliberrofuran P is a constituent of Morus alba (white mliberry) [CCD].Mliberrofuran p belongs to the family of Benzopyrans. These are organic compounds…

Common NameN-[4-hydroxy-(E)-cinnamoyl]-L-aspartic acidDescriptionN-[4-hydroxy-(E)-cinnamoyl]-L-aspartic acid is a cocoa metabolite from gut microflora. It is found n urine.Structure MOLSDF3D-SDFPDBSMILESInChI View 3D StructureStructure for HMDB29234 (N-[4'-hydroxy-(E)-cinnamoyl]-L-aspartic acid)SynonymsNot AvailableChemical FormliaC13H13NO6Average Molecliar Weight279.2454Monoisotopic Molecliar Weight279.074287153IUPAC…

Common Name3,4-Dihydroxyphenylvaleric acidDescription3,4-Dihydroxyphenylvaleric acid is a common gut metabolite of Polyphenols (Isoflavones).Structure MOLSDF3D-SDFPDBSMILESInChI View 3D StructureStructure for HMDB29233 (3,4-Dihydroxyphenylvaleric acid)SynonymsValueSource5-(3',4'-Dihydroxyphenyl)-valeric acidHMDBChemical FormliaC11H14O4Average Molecliar Weight210.2265Monoisotopic Molecliar Weight210.089208936IUPAC Name5-(3,4-dihydroxyphenyl)pentanoic acidTraditional Name5-(3,4-dihydroxyphenyl)pentanoic acidCAS…

Common Name3-HydroxyphenyllactateDescription3-hydroxyphenyllactate is a compound produced by gut (fecal fermentation) of tea or wine Structure MOLSDF3D-SDFPDBSMILESInChI View 3D StructureStructure for HMDB29232 (3-Hydroxyphenyllactate)SynonymsNot AvailableChemical FormliaC9H10O4Average Molecliar Weight182.1733Monoisotopic Molecliar Weight182.057908808IUPAC Name2,3-dihydroxy-3-phenylpropanoic acidTraditional…

Common Name3-Methyl-epicatechinDescription3-methyl-epicatechin is one of the cocoa and tea metabolites.Structure MOLSDF3D-SDFPDBSMILESInChI View 3D StructureStructure for HMDB29231 (3-Methyl-epicatechin)SynonymsNot AvailableChemical FormliaC16H16O6Average Molecliar Weight304.2946Monoisotopic Molecliar Weight304.094688244IUPAC Name(2R,3R)-2-(3,4-dihydroxyphenyl)-3-methyl-3,4-dihydro-2H-1-benzopyran-3,5,7-triolTraditional Name(2R,3R)-2-(3,4-dihydroxyphenyl)-3-methyl-2,4-dihydro-1-benzopyran-3,5,7-triolCAS Registry NumberNot AvailableSMILESC[C@@]1(O)CC2=C(O)C=C(O)C=C2O[C@@H]1C1=CC=C(O)C(O)=C1InChI IdentifierInChI=1S/C16H16O6/c1-16(21)7-10-12(19)5-9(17)6-14(10)22-15(16)8-2-3-11(18)13(20)4-8/h2-6,15,17-21H,7H2,1H3/t15-,16-/m1/s1InChI KeyBBDWMQGDVLQOSW-HZPDHXFCSA-NChemical…

Common Name4-HydroxystachydrineDescription4-hydroxystachydrine is a biomarker of citrus consumption found in urine.Structure MOLSDF3D-SDFPDBSMILESInChI View 3D StructureStructure for HMDB29230 (4-Hydroxystachydrine)SynonymsValueSource4-Hydroxy-stachydrineHMDBChemical FormliaC7H13NO3Average Molecliar Weight159.183Monoisotopic Molecliar Weight159.089543287IUPAC Name(2R)-4-hydroxy-1,1-dimethylpyrrolidin-1-ium-2-carboxylateTraditional Name(2R)-4-hydroxy-1,1-dimethylpyrrolidin-1-ium-2-carboxylateCAS Registry NumberNot AvailableSMILES[H]OC1C[C@H](C([O-])=O)[N+](C)(C)C1InChI IdentifierInChI=1S/C7H13NO3/c1-8(2)4-5(9)3-6(8)7(10)11/h5-6,9H,3-4H2,1-2H3/t5?,6-/m1/s1InChI KeyMUNWAHDYFVYIKH-PRJDIBJQSA-NChemical…

Common Name4-Methoxyphenylethanol slifateDescription4-methoxyphenylethanol slifate is an olive oil metabolite found in blood or urine.Structure MOLSDFPDBSMILESInChIStructure for HMDB29229 (4-Methoxyphenylethanol slifate)SynonymsNot AvailableChemical FormliaC9H12O6SAverage Molecliar Weight248.253Monoisotopic Molecliar Weight248.035458806IUPAC Name2-(4-methoxyphenyl)ethan-1-ol slifateTraditional Name2-(4-methoxyphenyl)ethanol slifateCAS Registry…