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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:21:24 UTC
Update Date2025-03-25 01:01:35 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02250312
Frequency0.5
Structure
Chemical FormulaC12H11NO4
Molecular Mass233.0688
SMILESO=C(O)Cc1c[nH]c2cc3c(cc12)OCCO3
InChI KeyYCRUNFZPAPFXRB-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classbenzodioxanes
Subclass benzo-1,4-dioxanes
Direct Parent benzo-1,4-dioxanes
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • alkyl aryl ethers
  • azacyclic compounds
  • benzenoids
  • carbonyl compounds
  • carboxylic acids
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • indoles
  • monocarboxylic acids and derivatives
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • oxacyclic compounds
  • para dioxins
  • pyrroles
    • Substituents
  • carbonyl group
  • ether
  • carboxylic acid
  • indole
  • alkyl aryl ether
  • carboxylic acid derivative
  • organic oxide
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • benzo-1,4-dioxane
  • azacycle
  • heteroaromatic compound
  • indole or derivatives
  • oxacycle
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • para-dioxin
  • pyrrole
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • organooxygen compound