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Record Information
HMDB StatusNot Available
Creation Date2024-02-20 23:51:09 UTC
Update Date2025-03-21 18:02:56 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00041267
Frequency83.4
Structure
Chemical FormulaC12H10O5
Molecular Mass234.0528
SMILESCOc1cc(-c2occc(=O)c2O)ccc1O
InChI KeyHDJWVEYSPAQRGB-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classphenols
Subclass methoxyphenols
Direct Parent methoxyphenols
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • alkyl aryl ethers
  • anisoles
  • cyclic ketones
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • methoxybenzenes
  • organic oxides
  • oxacyclic compounds
  • phenoxy compounds
  • pyranones and derivatives
    • Substituents
  • phenol ether
  • monocyclic benzene moiety
  • ether
  • aromatic heteromonocyclic compound
  • heteroaromatic compound
  • 1-hydroxy-2-unsubstituted benzenoid
  • methoxyphenol
  • cyclic ketone
  • alkyl aryl ether
  • methoxybenzene
  • oxacycle
  • organic oxide
  • organic oxygen compound
  • pyran
  • anisole
  • pyranone
  • hydrocarbon derivative
  • phenoxy compound
  • organoheterocyclic compound
  • organooxygen compound