Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:43:43 UTC
Update Date2025-03-25 00:47:47 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02164075
Frequency0.5
Structure
Chemical FormulaC20H32O4
Molecular Mass336.2301
SMILESCC12CCC3C(C(O)CC4(C)C(C(O)CO)CCC34)C1CCC2=O
InChI KeyIHZLSVAKCXGFJA-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass alcohols and polyols
Direct Parent cyclic alcohols and derivatives
Geometric Descriptor aliphatic homopolycyclic compounds
Alternative Parents
  • hydrocarbon derivatives
  • ketones
  • organic oxides
  • primary alcohols
  • secondary alcohols
  • Substituents
  • ketone
  • carbonyl group
  • organic oxide
  • secondary alcohol
  • hydrocarbon derivative
  • cyclic alcohol
  • primary alcohol
  • aliphatic homopolycyclic compound