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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:52:39 UTC
Update Date2025-03-25 00:51:03 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02184517
Frequency0.5
Structure
Chemical FormulaC18H20N2O3
Molecular Mass312.1474
SMILESNC(Cc1ccccc1)C(O)CC1Oc2ccccc2N=C1O
InChI KeyRDFIRDBCWMMDQW-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classbenzoxazines
Subclass benzoxazines
Direct Parent benzoxazines
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • alkyl aryl ethers
  • amphetamines and derivatives
  • azacyclic compounds
  • benzene and substituted derivatives
  • cyclic carboximidic acids
  • hydrocarbon derivatives
  • monoalkylamines
  • organonitrogen compounds
  • organopnictogen compounds
  • oxacyclic compounds
  • propargyl-type 1,3-dipolar organic compounds
  • secondary alcohols
    • Substituents
  • alcohol
  • monocyclic benzene moiety
  • ether
  • azacycle
  • benzoxazine
  • organic 1,3-dipolar compound
  • alkyl aryl ether
  • propargyl-type 1,3-dipolar organic compound
  • oxacycle
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • secondary alcohol
  • organopnictogen compound
  • hydrocarbon derivative
  • benzenoid
  • primary aliphatic amine
  • organic nitrogen compound
  • cyclic carboximidic acid
  • organooxygen compound
  • amphetamine or derivatives