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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:28:17 UTC
Update Date2025-03-21 18:40:26 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00130107
Frequency19.5
Structure
Chemical FormulaC8H6N2O5
Molecular Mass210.0277
SMILESO=C1Nc2ccc([N+](=O)[O-])cc2OC1O
InChI KeySGQOCDIBYYZHRX-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classbenzoxazines
Subclass benzoxazinones
Direct Parent benzoxazinones
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • azacyclic compounds
  • benzenoids
  • benzomorpholines
  • carbonyl compounds
  • carboxylic acids and derivatives
  • hemiacetals
  • hydrocarbon derivatives
  • lactams
  • nitroaromatic compounds
  • organic oxides
  • organic oxoanionic compounds
  • organic oxoazanium compounds
  • organonitrogen compounds
  • organopnictogen compounds
  • oxacyclic compounds
  • propargyl-type 1,3-dipolar organic compounds
  • secondary carboxylic acid amides
    • Substituents
  • carbonyl group
  • lactam
  • allyl-type 1,3-dipolar organic compound
  • carboxylic acid derivative
  • benzomorpholine
  • organic nitro compound
  • propargyl-type 1,3-dipolar organic compound
  • organic oxide
  • aromatic heteropolycyclic compound
  • c-nitro compound
  • organonitrogen compound
  • organopnictogen compound
  • hemiacetal
  • organic oxoazanium
  • nitroaromatic compound
  • azacycle
  • organic 1,3-dipolar compound
  • carboxamide group
  • oxazinane
  • oxacycle
  • secondary carboxylic acid amide
  • morpholine
  • benzoxazinone
  • organic oxygen compound
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • organooxygen compound
  • organic hyponitrite