Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:19:43 UTC
Update Date2025-03-25 01:01:01 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02246461
Frequency0.5
Structure
Chemical FormulaC7H12O3
Molecular Mass144.0786
SMILESCCC1(O)CC(O)CC1=O
InChI KeyOPESWCJPDQIXCQ-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
  • acyloins
  • cyclic alcohols and derivatives
  • cyclic ketones
  • hydrocarbon derivatives
  • organic oxides
  • tertiary alcohols
  • Substituents
  • carbonyl group
  • cyclic ketone
  • cyclic alcohol
  • cyclopentanol
  • ketone
  • tertiary alcohol
  • organic oxide
  • acyloin
  • aliphatic homomonocyclic compound
  • hydrocarbon derivative