Hmdb loader

Showing information for DMID02159110

Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:41:30 UTC
Update Date2025-03-25 00:47:03 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02159110
Frequency0.5
Structure
Chemical FormulaC10H13NO3
Molecular Mass195.0895
SMILESOc1cc2c(cc1O)NCCC(O)C2
InChI KeyGTYXJCRIBCOWEX-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classbenzazepines
Subclass benzazepines
Direct Parent benzazepines
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • azacyclic compounds
  • azepines
  • benzenoids
  • hydrocarbon derivatives
  • organopnictogen compounds
  • secondary alcohols
  • secondary alkylarylamines
    • Substituents
  • alcohol
  • azacycle
  • 1-hydroxy-2-unsubstituted benzenoid
  • secondary amine
  • secondary aliphatic/aromatic amine
  • organic oxygen compound
  • azepine
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • secondary alcohol
  • organopnictogen compound
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • benzazepine
  • amine
  • organooxygen compound