Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:23:06 UTC
Update Date2025-03-25 01:02:10 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02254137
Frequency0.5
Structure
Chemical FormulaC13H18O3
Molecular Mass222.1256
SMILESCC(C)c1ccc(C(C)C)c(OC(=O)O)c1
InChI KeyDWCPHTCDLWAUBJ-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
  • carbonic acid monoesters
  • carbonyl compounds
  • cumenes
  • hydrocarbon derivatives
  • monocyclic monoterpenoids
  • organic oxides
  • phenoxy compounds
  • phenylpropanes
  • Substituents
  • monocyclic benzene moiety
  • carbonyl group
  • monocyclic monoterpenoid
  • carbonic acid derivative
  • p-cymene
  • phenylpropane
  • aromatic homomonocyclic compound
  • organic oxide
  • carbonic acid monoester
  • organic oxygen compound
  • cumene
  • hydrocarbon derivative
  • benzenoid
  • phenoxy compound
  • organooxygen compound
  • aromatic monoterpenoid