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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:39:27 UTC
Update Date2025-03-25 00:46:18 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02154573
Frequency0.5
Structure
Chemical FormulaC17H16O3
Molecular Mass268.1099
SMILESCOc1ccc(C2CC(=O)Oc3cc(C)ccc32)cc1
InChI KeyBGVFESCLHSUXBJ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassphenylpropanoids and polyketides
Classneoflavonoids
Subclass neoflavans
Direct Parent neoflavans
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1-benzopyrans
  • 3,4-dihydrocoumarins
  • alkyl aryl ethers
  • anisoles
  • carbonyl compounds
  • carboxylic acid esters
  • hydrocarbon derivatives
  • lactones
  • methoxybenzenes
  • monocarboxylic acids and derivatives
  • organic oxides
  • oxacyclic compounds
  • phenoxy compounds
    • Substituents
  • neoflavan
  • phenol ether
  • monocyclic benzene moiety
  • carbonyl group
  • ether
  • 1-benzopyran
  • alkyl aryl ether
  • carboxylic acid derivative
  • lactone
  • organic oxide
  • aromatic heteropolycyclic compound
  • chromane
  • organoheterocyclic compound
  • benzopyran
  • 3,4-dihydrocoumarin
  • methoxybenzene
  • oxacycle
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • anisole
  • carboxylic acid ester
  • hydrocarbon derivative
  • benzenoid
  • phenoxy compound
  • organooxygen compound