Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:17:26 UTC
Update Date2025-03-21 18:35:07 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00104071
Frequency26.1
Structure
Chemical FormulaC7H10O4
Molecular Mass158.0579
SMILESO=C(O)CC1CC(O)CC1=O
InChI KeyJMRKJYDPJGPXRB-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass alcohols and polyols
Direct Parent cyclopentanols
Geometric Descriptor aliphatic homomonocyclic compounds
Alternative Parents
  • carboxylic acids
  • cyclic alcohols and derivatives
  • cyclic ketones
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • Substituents
  • carbonyl group
  • carboxylic acid
  • cyclic ketone
  • cyclic alcohol
  • carboxylic acid derivative
  • cyclopentanol
  • ketone
  • organic oxide
  • monocarboxylic acid or derivatives
  • aliphatic homomonocyclic compound
  • hydrocarbon derivative