Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:44:06 UTC
Update Date2025-03-25 00:47:56 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02164944
Frequency0.5
Structure
Chemical FormulaC11H12O2
Molecular Mass176.0837
SMILESCC=C(C=O)C(O)c1ccccc1
InChI KeyWVKLRQUWKVFLKD-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass benzene and substituted derivatives
Direct Parent benzene and substituted derivatives
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • aromatic alcohols
  • beta-hydroxy aldehydes
  • hydrocarbon derivatives
  • organic oxides
  • secondary alcohols
  • Substituents
  • aromatic alcohol
  • alcohol
  • monocyclic benzene moiety
  • carbonyl group
  • beta-hydroxy aldehyde
  • aldehyde
  • aromatic homomonocyclic compound
  • organic oxide
  • organic oxygen compound
  • secondary alcohol
  • hydrocarbon derivative
  • organooxygen compound