Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:17:57 UTC
Update Date2025-03-21 18:35:22 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00105315
Frequency25.7
Structure
Chemical FormulaC20H32O5
Molecular Mass352.225
SMILESCC12CC(O)C3C(CCC4(C)C3CCC4(O)C(O)CO)C1CCC2=O
InChI KeyNAQLOBUFYGUYID-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass alcohols and polyols
Direct Parent tertiary alcohols
Geometric Descriptor aliphatic homopolycyclic compounds
Alternative Parents
  • cyclic alcohols and derivatives
  • hydrocarbon derivatives
  • ketones
  • organic oxides
  • primary alcohols
  • secondary alcohols
  • Substituents
  • carbonyl group
  • cyclic alcohol
  • aliphatic homopolycyclic compound
  • ketone
  • tertiary alcohol
  • organic oxide
  • secondary alcohol
  • hydrocarbon derivative
  • primary alcohol