Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 02:55:52 UTC
Update Date2025-03-21 22:01:49 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00475427
Frequency3.6
Structure
Chemical FormulaC7H10O3
Molecular Mass142.063
SMILESCC(=O)OC1CCCC1=O
InChI KeyRBEIPUMJEQUKIW-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass carbonyl compounds
Direct Parent alpha-acyloxy ketones
Geometric Descriptor aliphatic homomonocyclic compounds
Alternative Parents
  • carboxylic acid esters
  • cyclic ketones
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • Substituents
  • alpha-acyloxy ketone
  • cyclic ketone
  • carboxylic acid derivative
  • ketone
  • organic oxide
  • monocarboxylic acid or derivatives
  • carboxylic acid ester
  • aliphatic homomonocyclic compound
  • hydrocarbon derivative