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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:21:48 UTC
Update Date2025-03-21 18:37:15 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00114699
Frequency23.0
Structure
Chemical FormulaC15H18O6
Molecular Mass294.1103
SMILESCOc1ccc(C2C(O)C(O)C3COC(=O)C32)cc1OC
InChI KeyAEDFOXBVHFEHOH-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass methoxybenzenes
Direct Parent dimethoxybenzenes
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1,2-diols
  • alkyl aryl ethers
  • anisoles
  • carbonyl compounds
  • carboxylic acid esters
  • cyclic alcohols and derivatives
  • gamma butyrolactones
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • oxacyclic compounds
  • phenoxy compounds
  • secondary alcohols
  • tetrahydrofurans
    • Substituents
  • phenol ether
  • carbonyl group
  • ether
  • alkyl aryl ether
  • carboxylic acid derivative
  • lactone
  • dimethoxybenzene
  • organic oxide
  • aromatic heteropolycyclic compound
  • o-dimethoxybenzene
  • organoheterocyclic compound
  • 1,2-diol
  • alcohol
  • tetrahydrofuran
  • cyclic alcohol
  • gamma butyrolactone
  • oxacycle
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • anisole
  • carboxylic acid ester
  • secondary alcohol
  • hydrocarbon derivative
  • phenoxy compound
  • organooxygen compound