Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:11:49 UTC
Update Date2025-03-21 18:32:20 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00090343
Frequency31.2
Structure
Chemical FormulaC13H18O2
Molecular Mass206.1307
SMILESCC(C)c1ccc(C(C)(C)C(=O)O)cc1
InChI KeyVYNVSKVXVAZPSN-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclasslipids and lipid-like molecules
Classprenol lipids
Subclass monoterpenoids
Direct Parent aromatic monoterpenoids
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • carbonyl compounds
  • carboxylic acids
  • cumenes
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • monocyclic monoterpenoids
  • organic oxides
  • phenylpropanes
  • Substituents
  • monocyclic benzene moiety
  • carbonyl group
  • monocyclic monoterpenoid
  • carboxylic acid
  • p-cymene
  • carboxylic acid derivative
  • phenylpropane
  • aromatic homomonocyclic compound
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • cumene
  • hydrocarbon derivative
  • benzenoid
  • organooxygen compound
  • aromatic monoterpenoid