Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-20 23:52:11 UTC
Update Date2025-03-21 18:03:22 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00043791
Frequency77.5
Structure
Chemical FormulaC16H16O3
Molecular Mass256.1099
SMILESCC(C(=O)O)C(O)(c1ccccc1)c1ccccc1
InChI KeyBAKJMAWIFLODFD-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass diphenylmethanes
Direct Parent diphenylmethanes
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • aromatic alcohols
  • carbonyl compounds
  • carboxylic acids
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • phenylpropanes
  • phenylpropanoic acids
  • tertiary alcohols
  • Substituents
  • aromatic alcohol
  • alcohol
  • diphenylmethane
  • carbonyl group
  • carboxylic acid
  • 3-phenylpropanoic-acid
  • carboxylic acid derivative
  • phenylpropane
  • aromatic homomonocyclic compound
  • tertiary alcohol
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • hydrocarbon derivative
  • organooxygen compound