Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 05:55:19 UTC
Update Date2025-03-24 14:38:45 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00903084
Frequency1.6
Structure
Chemical FormulaC7H10O3
Molecular Mass142.063
SMILESO=C(O)C(O)C1CC=CC1
InChI KeyWVWZTIWPPQEYBT-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic acids and derivatives
Classhydroxy acids and derivatives
Subclass alpha hydroxy acids and derivatives
Direct Parent alpha hydroxy acids and derivatives
Geometric Descriptor aliphatic homomonocyclic compounds
Alternative Parents
  • carbonyl compounds
  • carboxylic acids
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • secondary alcohols
  • Substituents
  • alcohol
  • carbonyl group
  • carboxylic acid
  • alpha-hydroxy acid
  • carboxylic acid derivative
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • secondary alcohol
  • aliphatic homomonocyclic compound
  • hydrocarbon derivative
  • organooxygen compound