Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 02:47:08 UTC
Update Date2025-03-21 21:58:04 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00454859
Frequency3.9
Structure
Chemical FormulaC7H10O3
Molecular Mass142.063
SMILESO=C(O)C1(O)CC2CC1C2
InChI KeyCAFYBYRVGJVMEY-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 homopolycyclic compounds
Alternative Parents
  • carbonyl compounds
  • carboxylic acids
  • cyclic alcohols and derivatives
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • tertiary alcohols
  • Substituents
  • alcohol
  • carbonyl group
  • carboxylic acid
  • alpha-hydroxy acid
  • cyclic alcohol
  • carboxylic acid derivative
  • aliphatic homopolycyclic compound
  • tertiary alcohol
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • hydrocarbon derivative
  • organooxygen compound