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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:59:44 UTC
Update Date2025-03-25 00:53:36 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02200657
Frequency0.5
Structure
Chemical FormulaC22H20O8
Molecular Mass412.1158
SMILESCOc1ccc(C2Oc3oc(-c4ccc(O)c(OC)c4)cc(=O)c3CC2O)cc1O
InChI KeyROHMKYCSDMYTMH-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
  • 1-hydroxy-4-unsubstituted benzenoids
  • alkyl aryl ethers
  • anisoles
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • methoxybenzenes
  • methoxyphenols
  • organic oxides
  • oxacyclic compounds
  • phenoxy compounds
  • pyranones and derivatives
  • secondary alcohols
  • vinylogous esters
    • Substituents
  • phenol ether
  • monocyclic benzene moiety
  • ether
  • 1-hydroxy-2-unsubstituted benzenoid
  • methoxyphenol
  • alkyl aryl ether
  • organic oxide
  • aromatic heteropolycyclic compound
  • pyranone
  • organoheterocyclic compound
  • alcohol
  • vinylogous ester
  • heteroaromatic compound
  • 1-hydroxy-4-unsubstituted benzenoid
  • methoxybenzene
  • oxacycle
  • organic oxygen compound
  • pyran
  • anisole
  • secondary alcohol
  • phenol
  • linear 1,7-diphenylheptane skeleton
  • hydrocarbon derivative
  • benzenoid
  • phenoxy compound
  • organooxygen compound