Hmdb loader

Showing information for DMID02221097

Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:08:32 UTC
Update Date2025-03-25 00:56:50 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02221097
Frequency0.5
Structure
Chemical FormulaC15H13NO7S
Molecular Mass351.0413
SMILESO=C1C(OS(=O)(=O)O)C(c2ccccc2)Oc2ccccc2N1O
InChI KeyMGWBYCNSLCXXHR-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classoxazepines
Subclass 1,4-oxazepines
Direct Parent 1,4-oxazepines
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • alkyl aryl ethers
  • alkyl sulfates
  • azacyclic compounds
  • benzene and substituted derivatives
  • carbonyl compounds
  • carboxylic acids and derivatives
  • hydrocarbon derivatives
  • hydroxamic acids
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • oxacyclic compounds
  • sulfuric acid monoesters
    • Substituents
  • monocyclic benzene moiety
  • sulfuric acid monoester
  • carbonyl group
  • ether
  • alkyl aryl ether
  • carboxylic acid derivative
  • organic oxide
  • aromatic heteropolycyclic compound
  • alkyl sulfate
  • organonitrogen compound
  • organopnictogen compound
  • organic sulfuric acid or derivatives
  • azacycle
  • para-oxazepine
  • oxacycle
  • organic oxygen compound
  • sulfate-ester
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • hydroxamic acid
  • sulfuric acid ester
  • organooxygen compound