Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:13:10 UTC
Update Date2025-03-25 00:58:32 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02231366
Frequency0.5
Structure
Chemical FormulaC12H15NO
Molecular Mass189.1154
SMILESCC1=NOC(C)(c2ccc(C)cc2)C1
InChI KeyYNSPDZNPWASGRK-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass toluenes
Direct Parent toluenes
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • azacyclic compounds
  • hydrocarbon derivatives
  • isoxazolines
  • organonitrogen compounds
  • organooxygen compounds
  • organopnictogen compounds
  • oxacyclic compounds
  • Substituents
  • aromatic heteromonocyclic compound
  • azacycle
  • isoxazoline
  • oxacycle
  • organic oxygen compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • toluene
  • organoheterocyclic compound
  • organooxygen compound