Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 13:31:08 UTC
Update Date2025-03-24 22:06:29 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01993243
Frequency0.6
Structure
Chemical FormulaC7H10O3
Molecular Mass142.063
SMILESCOC(=O)C1CCC=CO1
InChI KeyCJTTXGOOWXOTSV-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpyrans
Subclass pyran carboxylic acids and derivatives
Direct Parent pyran carboxylic acids
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • carbonyl compounds
  • hydrocarbon derivatives
  • methyl esters
  • monocarboxylic acids and derivatives
  • organic oxides
  • oxacyclic compounds
  • Substituents
  • carbonyl group
  • pyran carboxylic acid or derivatives
  • carboxylic acid derivative
  • oxacycle
  • organic oxide
  • monocarboxylic acid or derivatives
  • methyl ester
  • organic oxygen compound
  • carboxylic acid ester
  • aliphatic heteromonocyclic compound
  • hydrocarbon derivative
  • organooxygen compound