Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:17:30 UTC
Update Date2025-03-21 18:35:09 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00104214
Frequency26.0
Structure
Chemical FormulaC16H16O4
Molecular Mass272.1049
SMILESCC(C(=O)O)c1cccc(C(O)c2ccc(O)cc2)c1
InChI KeyPOXNVXKDJNHNOS-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass diphenylmethanes
Direct Parent diphenylmethanes
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • aromatic alcohols
  • carbonyl compounds
  • carboxylic acids
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • phenylpropanoic acids
  • secondary alcohols
  • Substituents
  • aromatic alcohol
  • alcohol
  • diphenylmethane
  • carbonyl group
  • carboxylic acid
  • 1-hydroxy-2-unsubstituted benzenoid
  • carboxylic acid derivative
  • aromatic homomonocyclic compound
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • 2-phenylpropanoic-acid
  • secondary alcohol
  • phenol
  • hydrocarbon derivative
  • organooxygen compound