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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:37:53 UTC
Update Date2025-03-25 00:45:44 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02150884
Frequency0.5
Structure
Chemical FormulaC12H13NO5
Molecular Mass251.0794
SMILESO=C(O)CC1(CC(=O)O)CNc2ccccc2O1
InChI KeyUJAWNXKNZUDWAX-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classbenzoxazines
Subclass benzoxazines
Direct Parent benzoxazines
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • alkyl aryl ethers
  • amino acids
  • azacyclic compounds
  • benzenoids
  • benzomorpholines
  • carbonyl compounds
  • carboxylic acids
  • dicarboxylic acids and derivatives
  • hydrocarbon derivatives
  • organic oxides
  • organopnictogen compounds
  • oxacyclic compounds
  • secondary alkylarylamines
    • Substituents
  • carbonyl group
  • ether
  • carboxylic acid
  • amino acid or derivatives
  • amino acid
  • alkyl aryl ether
  • carboxylic acid derivative
  • benzomorpholine
  • organic oxide
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • azacycle
  • benzoxazine
  • secondary amine
  • oxazinane
  • secondary aliphatic/aromatic amine
  • oxacycle
  • morpholine
  • organic oxygen compound
  • dicarboxylic acid or derivatives
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • amine
  • organooxygen compound