Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-20 23:41:44 UTC
Update Date2025-03-21 17:59:09 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00019176
Frequency214.3
Structure
Chemical FormulaC12H18O
Molecular Mass178.1358
SMILESCc1cc(C)c(O)c(C(C)(C)C)c1
InChI KeyOPLCSTZDXXUYDU-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass phenylpropanes
Direct Parent phenylpropanes
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • hydrocarbon derivatives
  • organooxygen compounds
  • ortho cresols
  • para cresols
  • phenols
  • m-xylenes
  • Substituents
  • m-xylene
  • phenylpropane
  • aromatic homomonocyclic compound
  • xylene
  • organic oxygen compound
  • p-cresol
  • o-cresol
  • phenol
  • hydrocarbon derivative
  • organooxygen compound