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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:40:41 UTC
Update Date2025-03-25 00:46:47 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02157297
Frequency0.5
Structure
Chemical FormulaC12H13NO7
Molecular Mass283.0692
SMILESO=C1Nc2ccccc2OC1OC1OOCC(O)C1O
InChI KeyXRWRGSBVHCAIAK-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classbenzoxazines
Subclass benzoxazinones
Direct Parent benzoxazinones
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1,2-diols
  • 1,2-dioxanes
  • acetals
  • azacyclic compounds
  • benzenoids
  • benzomorpholines
  • carbonyl compounds
  • carboxylic acids and derivatives
  • dialkyl peroxides
  • hydrocarbon derivatives
  • lactams
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • oxacyclic compounds
  • secondary alcohols
  • secondary carboxylic acid amides
    • Substituents
  • carbonyl group
  • lactam
  • carboxylic acid derivative
  • benzomorpholine
  • organic oxide
  • acetal
  • aromatic heteropolycyclic compound
  • dialkyl peroxide
  • organonitrogen compound
  • organopnictogen compound
  • 1,2-diol
  • alcohol
  • azacycle
  • carboxamide group
  • oxazinane
  • oxacycle
  • secondary carboxylic acid amide
  • morpholine
  • benzoxazinone
  • organic oxygen compound
  • secondary alcohol
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • ortho-dioxane
  • organooxygen compound