Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:39:43 UTC
Update Date2025-03-25 00:46:25 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02155195
Frequency0.5
Structure
Chemical FormulaC10H16O3
Molecular Mass184.1099
SMILESCC(=O)C1(O)CC(O)CC(C)=C1C
InChI KeyIDDQUONCKDKRKF-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass alcohols and polyols
Direct Parent tertiary alcohols
Geometric Descriptor aliphatic homomonocyclic compounds
Alternative Parents
  • hydrocarbon derivatives
  • ketones
  • organic oxides
  • secondary alcohols
  • Substituents
  • ketone
  • carbonyl group
  • tertiary alcohol
  • organic oxide
  • secondary alcohol
  • aliphatic homomonocyclic compound
  • hydrocarbon derivative