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Record Information
HMDB StatusNot Available
Creation Date2024-02-20 23:50:43 UTC
Update Date2025-03-21 18:02:46 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00040235
Frequency86.0
Structure
Chemical FormulaC12H14O5
Molecular Mass238.0841
SMILESCOc1cc(CC2CCC(=O)O2)c(O)cc1O
InChI KeyPRAPIHNYUNMPJP-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
  • 4-alkoxyphenols
  • alkyl aryl ethers
  • anisoles
  • carbonyl compounds
  • carboxylic acid esters
  • gamma butyrolactones
  • hydrocarbon derivatives
  • methoxybenzenes
  • monocarboxylic acids and derivatives
  • organic oxides
  • oxacyclic compounds
  • phenoxy compounds
  • resorcinols
  • 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
  • resorcinol
  • lactone
  • organic oxide
  • organoheterocyclic compound
  • 4-alkoxyphenol
  • tetrahydrofuran
  • methoxybenzene
  • gamma butyrolactone
  • oxacycle
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • anisole
  • carboxylic acid ester
  • hydrocarbon derivative
  • phenoxy compound
  • organooxygen compound