Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 06:43:22 UTC
Update Date2025-03-24 17:56:27 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01018376
Frequency1.4
Structure
Chemical FormulaC7H10O2
Molecular Mass126.0681
SMILESCC1=CC(=O)OCCC1
InChI KeyGVFMOJVECOZLLC-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic acids and derivatives
Classcarboxylic acids and derivatives
Subclass carboxylic acid derivatives
Direct Parent enoate esters
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • carbonyl compounds
  • hydrocarbon derivatives
  • lactones
  • monocarboxylic acids and derivatives
  • organic oxides
  • oxacyclic compounds
  • Substituents
  • enoate ester
  • carbonyl group
  • lactone
  • oxacycle
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • aliphatic heteromonocyclic compound
  • hydrocarbon derivative
  • organoheterocyclic compound
  • organooxygen compound