Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:19:35 UTC
Update Date2025-03-25 01:00:59 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02246178
Frequency0.5
Structure
Chemical FormulaC12H20O
Molecular Mass180.1514
SMILESCC12CCC=C1C(C)(C)C(O)CC2
InChI KeyMLYMRSMYIKQCEW-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
  • secondary alcohols
  • Substituents
  • secondary alcohol
  • hydrocarbon derivative
  • cyclic alcohol
  • aliphatic homopolycyclic compound