Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-20 23:53:14 UTC
Update Date2025-03-21 18:03:45 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00046317
Frequency72.4
Structure
Chemical FormulaC8H8O3
Molecular Mass152.0473
SMILESO=CCc1cc(O)cc(O)c1
InChI KeyMMCPIDWOZWYRDO-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass phenylacetaldehydes
Direct Parent phenylacetaldehydes
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • 1-hydroxy-4-unsubstituted benzenoids
  • alpha-hydrogen aldehydes
  • hydrocarbon derivatives
  • organic oxides
  • resorcinols
  • Substituents
  • carbonyl group
  • 1-hydroxy-2-unsubstituted benzenoid
  • aldehyde
  • 1-hydroxy-4-unsubstituted benzenoid
  • resorcinol
  • aromatic homomonocyclic compound
  • organic oxide
  • organic oxygen compound
  • alpha-hydrogen aldehyde
  • phenol
  • hydrocarbon derivative
  • organooxygen compound
  • phenylacetaldehyde