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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:51:11 UTC
Update Date2025-03-25 00:50:29 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02181218
Frequency0.5
Structure
Chemical FormulaC10H11NO5
Molecular Mass225.0637
SMILESO=C(O)CC1(O)CN(O)c2ccccc2O1
InChI KeyXWSRJCMDJCPVQQ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classbenzoxazines
Subclass benzoxazines
Direct Parent benzoxazines
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1-hydroxylamino, 2-unsubstituted benzenoids
  • 1-hydroxylamino, 4-unsubstituted benzenoids
  • azacyclic compounds
  • benzomorpholines
  • carbonyl compounds
  • carboxylic acids
  • hemiacetals
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • n-organohydroxylamines
  • organic oxides
  • organopnictogen compounds
  • oxacyclic compounds
  • Substituents
  • carbonyl group
  • carboxylic acid
  • carboxylic acid derivative
  • benzomorpholine
  • organic oxide
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • hemiacetal
  • 1-hydroxylamino, 2-unsubstituted benzenoid
  • azacycle
  • benzoxazine
  • n-organohydroxylamine
  • oxazinane
  • oxacycle
  • morpholine
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • 1-hydroxylamino, 4-unsubstituted benzenoid
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • organooxygen compound