Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:49:42 UTC
Update Date2025-03-25 00:49:58 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02177863
Frequency0.5
Structure
Chemical FormulaC12H14O7
Molecular Mass270.074
SMILESCOc1cc(C(C(=O)O)C(=O)O)cc(OC)c1OC
InChI KeyAPZHIENZHXLODT-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classphenol ethers
Subclass anisoles
Direct Parent anisoles
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • 1,3-dicarbonyl compounds
  • alkyl aryl ethers
  • carboxylic acids
  • dicarboxylic acids and derivatives
  • hydrocarbon derivatives
  • methoxybenzenes
  • organic oxides
  • phenoxy compounds
  • Substituents
  • monocyclic benzene moiety
  • carbonyl group
  • ether
  • carboxylic acid
  • alkyl aryl ether
  • carboxylic acid derivative
  • methoxybenzene
  • aromatic homomonocyclic compound
  • organic oxide
  • organic oxygen compound
  • anisole
  • dicarboxylic acid or derivatives
  • hydrocarbon derivative
  • 1,3-dicarbonyl compound
  • phenoxy compound
  • organooxygen compound