Record Information
Version1.0
StatusDetected and Quantified
Creation Date2021-05-14 22:52:22 UTC
Update Date2022-08-31 06:23:30 UTC
Metabolite IDMMDBc0005167
Metabolite Identification
Common Name5,7,3',4'-Tetrahydroxy-8-methylisoflavan
Description5,7,3',4'-Tetrahydroxy-8-methylisoflavan belongs to the class of organic compounds known as isoflavanones. These are polycyclic compounds containing an isoflavan skeleton which bears a ketone at position C4. Based on a literature review very few articles have been published on 5,7,3',4'-Tetrahydroxy-8-methylisoflavan.
Structure
SynonymsNot Available
Molecular FormulaC16H14O6
Average Mass302.282
Monoisotopic Mass302.079038171
IUPAC Name3-(3,4-dihydroxyphenyl)-5,7-dihydroxy-8-methyl-3,4-dihydro-2H-1-benzopyran-4-one
Traditional Name3-(3,4-dihydroxyphenyl)-5,7-dihydroxy-8-methyl-2,3-dihydro-1-benzopyran-4-one
CAS Registry NumberNot Available
SMILES
CC1=C2OCC(C(=O)C2=C(O)C=C1O)C1=CC(O)=C(O)C=C1
InChI Identifier
InChI=1S/C16H14O6/c1-7-11(18)5-13(20)14-15(21)9(6-22-16(7)14)8-2-3-10(17)12(19)4-8/h2-5,9,17-20H,6H2,1H3
InChI KeyBCFFUXZOSSJEAN-UHFFFAOYSA-N