Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:07:45 UTC
Update Date2025-03-25 00:56:34 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02219290
Frequency0.5
Structure
Chemical FormulaC14H13NO2
Molecular Mass227.0946
SMILESCOc1ccc2c(c1)-c1ccc(O)cc1CN2
InChI KeyJBFXWTDNFQGVBH-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classquinolines and derivatives
Subclass benzoquinolines
Direct Parent phenanthridines and derivatives
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • alkyl aryl ethers
  • anisoles
  • azacyclic compounds
  • hydrocarbon derivatives
  • organopnictogen compounds
  • secondary alkylarylamines
  • Substituents
  • phenol ether
  • ether
  • azacycle
  • 1-hydroxy-2-unsubstituted benzenoid
  • alkyl aryl ether
  • secondary amine
  • secondary aliphatic/aromatic amine
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • anisole
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • benzenoid
  • phenanthridine
  • organic nitrogen compound
  • amine
  • organooxygen compound