Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:57:38 UTC
Update Date2025-03-25 00:52:45 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02195808
Frequency0.5
Structure
Chemical FormulaC18H26O3
Molecular Mass290.1882
SMILESCC12CCC(=O)C=C1C=CC2CCC1CC(O)CC(O)C1
InChI KeyUTTWCFUDUNRBLG-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass alcohols and polyols
Direct Parent cyclohexanols
Geometric Descriptor aliphatic homopolycyclic compounds
Alternative Parents
  • cyclic alcohols and derivatives
  • cyclohexenones
  • hydrocarbon derivatives
  • organic oxides
  • Substituents
  • cyclohexenone
  • carbonyl group
  • cyclohexanol
  • cyclic ketone
  • cyclic alcohol
  • aliphatic homopolycyclic compound
  • ketone
  • organic oxide
  • hydrocarbon derivative