Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:07:10 UTC
Update Date2025-03-21 18:29:46 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00079394
Frequency36.7
Structure
Chemical FormulaC11H16O2
Molecular Mass180.115
SMILESCc1cc(C(C)(C)C)c(O)cc1O
InChI KeyBGLUWXSZTDXMGD-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass phenylpropanes
Direct Parent phenylpropanes
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • hydrocarbon derivatives
  • organooxygen compounds
  • ortho cresols
  • para cresols
  • resorcinols
  • toluenes
  • Substituents
  • 1-hydroxy-2-unsubstituted benzenoid
  • resorcinol
  • phenylpropane
  • aromatic homomonocyclic compound
  • organic oxygen compound
  • p-cresol
  • o-cresol
  • phenol
  • hydrocarbon derivative
  • toluene
  • organooxygen compound