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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:38:59 UTC
Update Date2025-03-25 00:46:08 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02153448
Frequency0.5
Structure
Chemical FormulaC18H16O5
Molecular Mass312.0998
SMILESCOc1ccc2c(c1)C(=O)C(=O)CC2c1ccc(OC)c(O)c1
InChI KeyGTVQUIYXOMYLJC-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classnaphthalenes
Subclass naphthoquinones
Direct Parent naphthoquinones
Geometric Descriptor aromatic homopolycyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • 1-hydroxy-4-unsubstituted benzenoids
  • alkyl aryl ethers
  • anisoles
  • aryl ketones
  • hydrocarbon derivatives
  • methoxybenzenes
  • methoxyphenols
  • organic oxides
  • phenoxy compounds
  • quinones
  • tetralins
    • Substituents
  • tetralin
  • phenol ether
  • monocyclic benzene moiety
  • carbonyl group
  • ether
  • 1-hydroxy-2-unsubstituted benzenoid
  • methoxyphenol
  • cyclic ketone
  • alkyl aryl ether
  • ketone
  • organic oxide
  • aromatic homopolycyclic compound
  • 1-hydroxy-4-unsubstituted benzenoid
  • methoxybenzene
  • organic oxygen compound
  • anisole
  • phenol
  • hydrocarbon derivative
  • phenoxy compound
  • naphthoquinone
  • organooxygen compound
  • aryl ketone
  • quinone