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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:39:16 UTC
Update Date2025-03-25 00:46:14 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02154137
Frequency0.5
Structure
Chemical FormulaC13H16O5
Molecular Mass252.0998
SMILESCOc1cc(CC2OCC(O)CC2=O)ccc1O
InChI KeyUNRHGLRKJVXYSL-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
  • dialkyl ethers
  • hydrocarbon derivatives
  • methoxybenzenes
  • organic oxides
  • oxacyclic compounds
  • oxanes
  • phenoxy compounds
  • secondary alcohols
    • Substituents
  • phenol ether
  • monocyclic benzene moiety
  • carbonyl group
  • ether
  • aromatic heteromonocyclic compound
  • 1-hydroxy-2-unsubstituted benzenoid
  • methoxyphenol
  • cyclic ketone
  • alkyl aryl ether
  • dialkyl ether
  • ketone
  • organic oxide
  • oxane
  • organoheterocyclic compound
  • alcohol
  • methoxybenzene
  • oxacycle
  • organic oxygen compound
  • anisole
  • secondary alcohol
  • hydrocarbon derivative
  • phenoxy compound
  • organooxygen compound