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Record Information
HMDB StatusNot Available
Creation Date2024-02-20 23:36:46 UTC
Update Date2025-03-21 17:57:27 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00007934
Frequency625.6
Structure
Chemical FormulaC13H16O5
Molecular Mass252.0998
SMILESCOc1cc(CC2CCC(=O)O2)cc(O)c1OC
InChI KeyINWGITCBDHODPS-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
  • 1-hydroxy-4-unsubstituted benzenoids
  • alkyl aryl ethers
  • anisoles
  • carbonyl compounds
  • carboxylic acid esters
  • dimethoxybenzenes
  • gamma butyrolactones
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • oxacyclic compounds
  • phenoxy compounds
  • tetrahydrofurans
    • Substituents
  • phenol ether
  • monocyclic benzene moiety
  • carbonyl group
  • ether
  • aromatic heteromonocyclic compound
  • methoxyphenol
  • 1-hydroxy-2-unsubstituted benzenoid
  • alkyl aryl ether
  • carboxylic acid derivative
  • lactone
  • dimethoxybenzene
  • organic oxide
  • o-dimethoxybenzene
  • organoheterocyclic compound
  • tetrahydrofuran
  • 1-hydroxy-4-unsubstituted benzenoid
  • methoxybenzene
  • gamma butyrolactone
  • oxacycle
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • anisole
  • carboxylic acid ester
  • hydrocarbon derivative
  • phenoxy compound
  • organooxygen compound