Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:55:00 UTC
Update Date2025-03-25 00:51:52 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02189940
Frequency0.5
Structure
Chemical FormulaC13H20O2
Molecular Mass208.1463
SMILESC=CC=CC1C(C)CC(=O)C(O)C1(C)C
InChI KeyAOMCEUDAHGLMPD-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass alcohols and polyols
Direct Parent cyclic alcohols and derivatives
Geometric Descriptor aliphatic homomonocyclic compounds
Alternative Parents
  • cyclic ketones
  • hydrocarbon derivatives
  • organic oxides
  • secondary alcohols
  • Substituents
  • ketone
  • carbonyl group
  • organic oxide
  • secondary alcohol
  • aliphatic homomonocyclic compound
  • hydrocarbon derivative
  • cyclic ketone
  • cyclic alcohol