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Record Information
HMDB StatusNot Available
Creation Date2024-02-20 23:40:37 UTC
Update Date2025-03-21 17:58:47 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00016721
Frequency254.7
Structure
Chemical FormulaC9H10O4
Molecular Mass182.0579
SMILESCOc1cc(C=O)cc(O)c1OC
InChI KeyNVLTWXMZECWWPC-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classphenols
Subclass methoxyphenols
Direct Parent methoxyphenols
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • 1-hydroxy-4-unsubstituted benzenoids
  • alkyl aryl ethers
  • anisoles
  • benzoyl derivatives
  • dimethoxybenzenes
  • hydrocarbon derivatives
  • hydroxybenzaldehydes
  • organic oxides
  • phenoxy compounds
    • Substituents
  • phenol ether
  • monocyclic benzene moiety
  • ether
  • methoxyphenol
  • benzoyl
  • 1-hydroxy-2-unsubstituted benzenoid
  • alkyl aryl ether
  • dimethoxybenzene
  • organic oxide
  • aryl-aldehyde
  • o-dimethoxybenzene
  • aldehyde
  • 1-hydroxy-4-unsubstituted benzenoid
  • methoxybenzene
  • aromatic homomonocyclic compound
  • benzaldehyde
  • organic oxygen compound
  • anisole
  • hydrocarbon derivative
  • phenoxy compound
  • hydroxybenzaldehyde
  • organooxygen compound