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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:39:12 UTC
Update Date2025-03-25 00:46:12 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02153959
Frequency0.5
Structure
Chemical FormulaC14H15NO3
Molecular Mass245.1052
SMILESCOc1ccc2c3c1OC1C(O)C=CC(C3)C1N2
InChI KeyYRFBSCCBWNGECG-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classquinolines and derivatives
Subclass benzoquinolines
Direct Parent acridines
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1,4-oxazepines
  • alkyl aryl ethers
  • anisoles
  • azacyclic compounds
  • hydrocarbon derivatives
  • hydroquinolines
  • organopnictogen compounds
  • oxacyclic compounds
  • secondary alcohols
  • secondary alkylarylamines
    • Substituents
  • acridine
  • phenol ether
  • ether
  • alkyl aryl ether
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • tetrahydroquinoline
  • alcohol
  • azacycle
  • secondary amine
  • para-oxazepine
  • secondary aliphatic/aromatic amine
  • oxacycle
  • organic oxygen compound
  • anisole
  • secondary alcohol
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • amine
  • organooxygen compound