Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:07:39 UTC
Update Date2025-03-21 18:30:02 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00080605
Frequency36.0
Structure
Chemical FormulaC11H16O2
Molecular Mass180.115
SMILESCc1cc(O)c(O)c(C(C)(C)C)c1
InChI KeyYKYXORJDSTUCTN-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
  • 1-hydroxy-4-unsubstituted benzenoids
  • hydrocarbon derivatives
  • meta cresols
  • organooxygen compounds
  • para cresols
  • toluenes
  • Substituents
  • m-cresol
  • 1-hydroxy-2-unsubstituted benzenoid
  • 1-hydroxy-4-unsubstituted benzenoid
  • phenylpropane
  • aromatic homomonocyclic compound
  • organic oxygen compound
  • p-cresol
  • phenol
  • hydrocarbon derivative
  • toluene
  • organooxygen compound