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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:15:08 UTC
Update Date2025-03-25 00:59:14 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02235900
Frequency0.5
Structure
Chemical FormulaC9H10O4
Molecular Mass182.0579
SMILESCOc1cc(O)c(O)cc1CC=O
InChI KeyANGXTQPNVPQHCE-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
  • 4-alkoxyphenols
  • alkyl aryl ethers
  • alpha-hydrogen aldehydes
  • anisoles
  • hydrocarbon derivatives
  • methoxybenzenes
  • organic oxides
  • phenoxy compounds
  • phenylacetaldehydes
    • Substituents
  • phenol ether
  • monocyclic benzene moiety
  • 4-alkoxyphenol
  • carbonyl group
  • ether
  • methoxyphenol
  • 1-hydroxy-2-unsubstituted benzenoid
  • aldehyde
  • alkyl aryl ether
  • methoxybenzene
  • aromatic homomonocyclic compound
  • organic oxide
  • organic oxygen compound
  • alpha-hydrogen aldehyde
  • anisole
  • hydrocarbon derivative
  • phenoxy compound
  • organooxygen compound
  • phenylacetaldehyde