Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:37:18 UTC
Update Date2025-03-25 00:45:30 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02149490
Frequency0.5
Structure
Chemical FormulaC12H20O2
Molecular Mass196.1463
SMILESCCCC(O)C=C1CC(C)(C)CC1=O
InChI KeyABVWVGMWZXLBGM-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass alcohols and polyols
Direct Parent secondary alcohols
Geometric Descriptor aliphatic homomonocyclic compounds
Alternative Parents
  • cyclic ketones
  • hydrocarbon derivatives
  • organic oxides
  • Substituents
  • ketone
  • carbonyl group
  • organic oxide
  • secondary alcohol
  • aliphatic homomonocyclic compound
  • hydrocarbon derivative
  • cyclic ketone