Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:49:30 UTC
Update Date2025-03-25 00:49:54 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02177405
Frequency0.5
Structure
Chemical FormulaC11H13NO
Molecular Mass175.0997
SMILESCc1ccc2[nH]cc(CO)c2c1C
InChI KeyWAWRHHCYFDQZPZ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classindoles and derivatives
Subclass indoles
Direct Parent indole-3-carbinol and derivatives
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • aromatic alcohols
  • azacyclic compounds
  • benzenoids
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • indoles
  • organonitrogen compounds
  • organopnictogen compounds
  • pyrroles
  • Substituents
  • aromatic alcohol
  • alcohol
  • azacycle
  • heteroaromatic compound
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • pyrrole
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • benzenoid
  • indole-3-carbinol or derivatives
  • organic nitrogen compound
  • organooxygen compound