Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:13:25 UTC
Update Date2025-03-25 00:58:38 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02231964
Frequency0.5
Structure
Chemical FormulaC16H24O2
Molecular Mass248.1776
SMILESCC1=CC(=O)C2C(CCC3CC(O)CCC32C)C1
InChI KeyJREBEZLRXPWXRX-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass carbonyl compounds
Direct Parent cyclohexenones
Geometric Descriptor aliphatic homopolycyclic compounds
Alternative Parents
  • cyclic alcohols and derivatives
  • hydrocarbon derivatives
  • ketones
  • organic oxides
  • secondary alcohols
  • Substituents
  • alcohol
  • cyclohexenone
  • organic oxide
  • secondary alcohol
  • hydrocarbon derivative
  • cyclic alcohol
  • aliphatic homopolycyclic compound