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Record Information
HMDB StatusNot Available
Creation Date2024-02-20 23:47:43 UTC
Update Date2025-03-21 18:01:27 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00033045
Frequency110.1
Structure
Chemical FormulaC10H10O4
Molecular Mass194.0579
SMILESCOc1cc(CC(=O)C=O)ccc1O
InChI KeyGCSNSYBHDHDJRY-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
  • alkyl aryl ethers
  • alpha ketoaldehydes
  • anisoles
  • hydrocarbon derivatives
  • ketones
  • methoxybenzenes
  • organic oxides
  • phenoxy compounds
    • Substituents
  • phenol ether
  • monocyclic benzene moiety
  • carbonyl group
  • ether
  • 1-hydroxy-2-unsubstituted benzenoid
  • methoxyphenol
  • aldehyde
  • alkyl aryl ether
  • methoxybenzene
  • ketone
  • aromatic homomonocyclic compound
  • organic oxide
  • organic oxygen compound
  • anisole
  • hydrocarbon derivative
  • phenoxy compound
  • alpha-ketoaldehyde
  • organooxygen compound