Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:25:21 UTC
Update Date2025-03-21 18:38:55 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00123178
Frequency20.9
Structure
Chemical FormulaC12H18O4
Molecular Mass226.1205
SMILESCOc1ccc(CC(CO)CO)cc1OC
InChI KeyHZZZKRQMYNIKFD-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass methoxybenzenes
Direct Parent dimethoxybenzenes
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • alkyl aryl ethers
  • anisoles
  • hydrocarbon derivatives
  • phenoxy compounds
  • primary alcohols
  • Substituents
  • alcohol
  • phenol ether
  • ether
  • alkyl aryl ether
  • aromatic homomonocyclic compound
  • dimethoxybenzene
  • organic oxygen compound
  • anisole
  • o-dimethoxybenzene
  • hydrocarbon derivative
  • phenoxy compound
  • primary alcohol
  • organooxygen compound