Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:57:49 UTC
Update Date2025-03-25 00:52:48 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02196189
Frequency0.5
Structure
Chemical FormulaC12H20O2
Molecular Mass196.1463
SMILESCC1=CCC(CC(=O)O)(C(C)C)CC1
InChI KeyKDEHJRJBALKBCB-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclasslipids and lipid-like molecules
Classprenol lipids
Subclass monoterpenoids
Direct Parent monocyclic monoterpenoids
Geometric Descriptor aliphatic homomonocyclic compounds
Alternative Parents
  • carbonyl compounds
  • carboxylic acids
  • hydrocarbon derivatives
  • menthane monoterpenoids
  • monocarboxylic acids and derivatives
  • organic oxides
  • Substituents
  • carbonyl group
  • monocyclic monoterpenoid
  • carboxylic acid
  • carboxylic acid derivative
  • p-menthane monoterpenoid
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • aliphatic homomonocyclic compound
  • hydrocarbon derivative
  • organooxygen compound