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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:51:50 UTC
Update Date2025-03-25 00:50:43 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02182706
Frequency0.5
Structure
Chemical FormulaC12H6O5
Molecular Mass230.0215
SMILESO=c1oc2cc(O)ccc2c(=O)c2occc12
InChI KeyZFBGLVYYTLZXLP-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classbenzoxepines
Subclass benzoxepines
Direct Parent benzoxepines
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • benzenoids
  • furans
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • lactones
  • organic oxides
  • organooxygen compounds
  • oxacyclic compounds
    • Substituents
  • furan
  • benzoxepine
  • heteroaromatic compound
  • 1-hydroxy-2-unsubstituted benzenoid
  • lactone
  • oxacycle
  • organic oxide
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • hydrocarbon derivative
  • benzenoid
  • organooxygen compound