Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:59:00 UTC
Update Date2025-03-25 00:53:18 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02198974
Frequency0.5
Structure
Chemical FormulaC8H12O2
Molecular Mass140.0837
SMILESCC1C=COC(C)(C=O)C1
InChI KeyYMFSZKRYPMNARH-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
  • hydrocarbon derivatives
  • organic oxides
  • oxacyclic compounds
  • pyrans
  • Substituents
  • oxacycle
  • carbonyl group
  • organic oxide
  • pyran carboxylic acid or derivatives
  • organic oxygen compound
  • aliphatic heteromonocyclic compound
  • aldehyde
  • hydrocarbon derivative
  • organooxygen compound