Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-20 23:40:36 UTC
Update Date2025-03-21 17:58:47 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00016682
Frequency255.5
Structure
Chemical FormulaC8H14O2
Molecular Mass142.0994
SMILESCC1CCC(C)(C=O)OC1
InChI KeyREJATYJWLDKIRP-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
  • aldehydes
  • dialkyl ethers
  • hydrocarbon derivatives
  • organic oxides
  • oxacyclic compounds
  • oxanes
  • pyrans
  • Substituents
  • carbonyl group
  • ether
  • pyran carboxylic acid or derivatives
  • aldehyde
  • dialkyl ether
  • oxacycle
  • organic oxide
  • organic oxygen compound
  • aliphatic heteromonocyclic compound
  • hydrocarbon derivative
  • oxane
  • organooxygen compound