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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:58:59 UTC
Update Date2025-03-25 00:53:18 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02198909
Frequency0.5
Structure
Chemical FormulaC10H11NO3
Molecular Mass193.0739
SMILESCC1c2cc(O)ccc2OC(=O)N1C
InChI KeyCQPHSORIUGMZNQ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classbenzoxazines
Subclass benzoxazines
Direct Parent benzoxazines
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • azacyclic compounds
  • benzenoids
  • carbamate esters
  • carbonyl compounds
  • hydrocarbon derivatives
  • organic carbonic acids and derivatives
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • oxacyclic compounds
    • Substituents
  • carbonyl group
  • carbonic acid derivative
  • azacycle
  • 1-hydroxy-2-unsubstituted benzenoid
  • carbamic acid ester
  • benzoxazine
  • oxacycle
  • organic oxide
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • organooxygen compound