Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-20 23:46:28 UTC
Update Date2025-03-21 18:00:55 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00030053
Frequency123.8
Structure
Chemical FormulaC9H10O3
Molecular Mass166.063
SMILESCc1ccc(O)c(CC(=O)O)c1
InChI KeyRDMFKTGZYKNWGQ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass phenylacetic acids
Direct Parent 2(hydroxyphenyl)acetic acids
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • carbonyl compounds
  • carboxylic acids
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • para cresols
  • toluenes
  • Substituents
  • carbonyl group
  • carboxylic acid
  • 1-hydroxy-2-unsubstituted benzenoid
  • carboxylic acid derivative
  • aromatic homomonocyclic compound
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • p-cresol
  • phenol
  • hydrocarbon derivative
  • toluene
  • organooxygen compound
  • 2(hydroxyphenyl)acetic acid