Hmdb loader

Showing information for DMID00064406

Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:00:57 UTC
Update Date2025-03-21 18:06:40 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00064406
Frequency47.8
Structure
Chemical FormulaC21H16O5
Molecular Mass348.0998
SMILESO=C1CC(c2ccc(O)cc2)Oc2cc(-c3ccc(O)cc3)c(O)cc21
InChI KeyYGJZIYWTVYMWOG-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassphenylpropanoids and polyketides
Classdiarylheptanoids
Subclass linear diarylheptanoids
Direct Parent linear diarylheptanoids
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • 4'-hydroxyflavonoids
  • 6-hydroxyflavonoids
  • alkyl aryl ethers
  • aryl alkyl ketones
  • benzene and substituted derivatives
  • chromones
  • flavanones
  • hydrocarbon derivatives
  • organic oxides
  • oxacyclic compounds
    • Substituents
  • monocyclic benzene moiety
  • ether
  • aryl alkyl ketone
  • 1-benzopyran
  • flavanone
  • flavan
  • 1-hydroxy-2-unsubstituted benzenoid
  • alkyl aryl ether
  • ketone
  • organic oxide
  • chromone
  • aromatic heteropolycyclic compound
  • chromane
  • flavonoid
  • organoheterocyclic compound
  • benzopyran
  • 6-hydroxyflavonoid
  • oxacycle
  • organic oxygen compound
  • 4'-hydroxyflavonoid
  • phenol
  • linear 1,7-diphenylheptane skeleton
  • hydrocarbon derivative
  • benzenoid
  • organooxygen compound
  • aryl ketone