Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:20:22 UTC
Update Date2025-03-25 01:01:15 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02247977
Frequency0.5
Structure
Chemical FormulaC12H13NO
Molecular Mass187.0997
SMILESC=CC(O)Cc1cc2ccccc2[nH]1
InChI KeyKXRXLRRMMHISKW-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classindoles and derivatives
Subclass indoles
Direct Parent indoles
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • azacyclic compounds
  • benzenoids
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • organonitrogen compounds
  • organopnictogen compounds
  • pyrroles
  • secondary alcohols
  • Substituents
  • alcohol
  • azacycle
  • indole
  • heteroaromatic compound
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • pyrrole
  • organonitrogen compound
  • secondary alcohol
  • organopnictogen compound
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • organooxygen compound