Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:10:22 UTC
Update Date2025-03-25 00:57:30 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02225237
Frequency0.5
Structure
Chemical FormulaC18H20O4
Molecular Mass300.1362
SMILESCC(C(=O)O)c1ccc(O)c(C(C)(C)c2ccc(O)cc2)c1
InChI KeyKHIXJURYBGJZPR-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
  • carbonyl compounds
  • carboxylic acids
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • phenylpropanes
  • phenylpropanoic acids
  • Substituents
  • diphenylmethane
  • carbonyl group
  • carboxylic acid
  • 1-hydroxy-2-unsubstituted benzenoid
  • carboxylic acid derivative
  • phenylpropane
  • aromatic homomonocyclic compound
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • 2-phenylpropanoic-acid
  • phenol
  • hydrocarbon derivative
  • organooxygen compound