Hmdb loader

Showing information for DMID02178974

Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:50:12 UTC
Update Date2025-03-25 00:50:08 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02178974
Frequency0.5
Structure
Chemical FormulaC13H16O5
Molecular Mass252.0998
SMILESCOc1ccc(CC(C(C)=O)C(=O)O)cc1OC
InChI KeyCDZDVHJCRWRAOX-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassphenylpropanoids and polyketides
Classphenylpropanoic acids
Subclass phenylpropanoic acids
Direct Parent phenylpropanoic acids
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • 1,3-dicarbonyl compounds
  • alkyl aryl ethers
  • anisoles
  • beta-hydroxy ketones
  • beta-keto acids and derivatives
  • carboxylic acids
  • dimethoxybenzenes
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • phenoxy compounds
    • Substituents
  • beta-hydroxy ketone
  • phenol ether
  • monocyclic benzene moiety
  • carbonyl group
  • ether
  • carboxylic acid
  • 3-phenylpropanoic-acid
  • alkyl aryl ether
  • carboxylic acid derivative
  • beta-keto acid
  • ketone
  • dimethoxybenzene
  • organic oxide
  • o-dimethoxybenzene
  • methoxybenzene
  • aromatic homomonocyclic compound
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • anisole
  • keto acid
  • hydrocarbon derivative
  • benzenoid
  • 1,3-dicarbonyl compound
  • phenoxy compound
  • organooxygen compound