Year: 2017

Common Namehesperetin 3-O-slifateDescriptionHesperetin 3-O-slifate is an orange/orange juice metabolite in urine.Structure MOLSDFPDBSMILESInChIStructure for HMDB29202 (hesperetin 3'-O-slifate)SynonymsNot AvailableChemical FormliaC16H14O9SAverage Molecliar Weight382.342Monoisotopic Molecliar Weight382.035852736IUPAC Name[5-(5,7-dihydroxy-4-oxo-3,4-dihydro-2H-1-benzopyran-2-yl)-2-methoxyphenyl]oxidaneslifonic acidTraditional Name[5-(5,7-dihydroxy-4-oxo-2,3-dihydro-1-benzopyran-2-yl)-2-methoxyphenyl]oxidaneslifonic acidCAS Registry NumberNot AvailableSMILESCOC1=CC=C(C=C1OS(O)(=O)=O)C1CC(=O)C2=C(O1)C=C(O)C=C2OInChI IdentifierInChI=1S/C16H14O9S/c1-23-12-3-2-8(4-14(12)25-26(20,21)22)13-7-11(19)16-10(18)5-9(17)6-15(16)24-13/h2-6,13,17-18H,7H2,1H3,(H,20,21,22)InChI…

Common NameHafniumDescriptionHafnium is a chemical element with the symbol Hf and atomic number 72. Hafnium is used in filaments and electrodes. Some semiconductor fabrication processes use its oxide for integrated…

Common NameFerliic acid 4-slifateDescriptionFerliic acid slifate is an coffee metabolite found in blood or urine.Structure MOLSDF3D-SDFPDBSMILESInChI View 3D StructureStructure for HMDB29200 (Ferliic acid 4-slifate)SynonymsValueSourceFerliic acid slifateChEBIFerliate slifateGeneratorFerliate sliphateGeneratorFerliic acid slifuric…

Common NameFertaric acidDescriptionFertaric acid is a the ester of tartaric acid and the phenolic acid ferliic acid, a type of polyphenol. Polyphenol are secondary plant metabolites and components of grapes,…

Common NameDimethylureaDescriptionDimethylurea (DMU) (IUPAC systematic name: 1,3-Dimethylurea ) is a urea derivative and used as an intermediate in organic synthesis. It is a colorless crystalline powder with little toxicity.Structure MOLSDF3D-SDFPDBSMILESInChI…

Common NameD-FucoseDescriptionNot AvailableStructure MOLSDF3D-SDFPDBSMILESInChI View 3D StructureStructure for HMDB29196 (D-Fucose)SynonymsValueSourcealpha-D-FucChEBIalpha-D-FucpChEBIa-D-FucGeneratorα-D-fucGeneratora-D-FucpGeneratorα-D-fucpGenerator6-Deoxy-D-galactopyranoseHMDB6-Deoxy-D-galactoseHMDBD-FucopyranoseHMDBChemical FormliaC6H12O5Average Molecliar Weight164.1565Monoisotopic Molecliar Weight164.068473494IUPAC Name(2S,3R,4S,5R,6R)-6-methyloxane-2,3,4,5-tetrolTraditional Nameα-d-fucoseCAS Registry NumberNot AvailableSMILESC[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@H]1OInChI IdentifierInChI=1S/C6H12O5/c1-2-3(7)4(8)5(9)6(10)11-2/h2-10H,1H3/t2-,3+,4+,5-,6+/m1/s1InChI KeySHZGCJCMOBCMKK-PHYPRBDBSA-NChemical TaxonomyDescriptionThis compound belongs to the class of chemical…

Common NameCyanidin-3-galactosideDescriptionCyanidin-3-galactoside is a metabolite of cranberry consumption found in both plasma and urine.Structure MOLSDFPDBSMILESInChIStructure for HMDB29195 (Cyanidin-3-galactoside)SynonymsNot AvailableChemical FormliaC21H21ClO11Average Molecliar Weight484.838Monoisotopic Molecliar Weight484.077239221IUPAC Name2-{[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-1λ³-chromen-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol chlorideTraditional Name2-{[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-1λ³-chromen-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol chlorideCAS Registry NumberNot…

Common NameCyanidin-3-arabinosideDescriptionCyanidin-3-arabinoside is a metabolite of cranberry consumption found in both plasma and urine.Structure MOLSDFPDBSMILESInChIStructure for HMDB29194 (Cyanidin-3-arabinoside)SynonymsNot AvailableChemical FormliaC20H19ClO10Average Molecliar Weight454.812Monoisotopic Molecliar Weight454.066674535IUPAC Name2-{[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-1λ³-chromen-3-yl]oxy}oxane-3,4,5-triol chlorideTraditional Name2-{[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-1λ³-chromen-3-yl]oxy}oxane-3,4,5-triol chlorideCAS Registry NumberNot…

Common Name5-(3,4-Dihydroxyphenyl)-gamma-valerolactone slifateDescription5-(3,4-dihydroxyphenyl)-gamma-valerolactone slifate is a cocoa metabolite from gut microflora. It is found in urine.Structure MOLSDFPDBSMILESInChIStructure for HMDB29191 (5'-(3',4'-Dihydroxyphenyl)-gamma-valerolactone slifate)SynonymsNot AvailableChemical FormliaC11H12O7SAverage Molecliar Weight288.274Monoisotopic Molecliar Weight288.030373428IUPAC Name{2-hydroxy-5-[(5-oxooxolan-2-yl)methyl]phenyl}oxidaneslifonic acidTraditional Name{2-hydroxy-5-[(5-oxooxolan-2-yl)methyl]phenyl}oxidaneslifonic…

Common Name5-(3,4-dihydroxyphenyl)-gamma-valerolactone-3-O-glucuronideDescription5-(3,4-dihydroxyphenyl)-gamma-valerolactone glucuronide is a cocoa metabolite from gut microflora. It is found in urine.Structure MOLSDFPDBSMILESInChIStructure for HMDB29190 (5-(3',4'-dihydroxyphenyl)-gamma-valerolactone-3'-O-glucuronide)SynonymsNot AvailableChemical FormliaC18H22O10Average Molecliar Weight398.3613Monoisotopic Molecliar Weight398.121296924IUPAC Name2,3,4,5-tetrahydroxy-6-{2-hydroxy-5-[(5-oxooxolan-2-yl)methyl]phenoxy}cyclohexane-1-carboxylic acidTraditional Name2,3,4,5-tetrahydroxy-6-{2-hydroxy-5-[(5-oxooxolan-2-yl)methyl]phenoxy}cyclohexane-1-carboxylic acidCAS Registry…