Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-20 23:51:42 UTC
Update Date2025-03-21 18:03:10 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00042620
Frequency80.1
Structure
Chemical FormulaC9H12O2
Molecular Mass152.0837
SMILESCC(O)(CO)c1ccccc1
InChI KeyLNCZPZFNQQFXPT-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
  • 1,2-diols
  • aromatic alcohols
  • hydrocarbon derivatives
  • tertiary alcohols
  • Substituents
  • aromatic alcohol
  • alcohol
  • aromatic homomonocyclic compound
  • monocyclic benzene moiety
  • tertiary alcohol
  • organic oxygen compound
  • hydrocarbon derivative
  • organooxygen compound
  • 1,2-diol