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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:15:23 UTC
Update Date2025-03-25 00:59:20 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02236456
Frequency0.5
Structure
Chemical FormulaC21H20O11
Molecular Mass448.1006
SMILESO=c1oc2cc(OC3OC(C(O)CO)C(O)C(O)C3O)ccc2c(=O)c2ccc(O)cc12
InChI KeyDXKRKMRUAUGPSK-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
  • acetals
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • lactones
  • monosaccharides
  • organic oxides
  • oxacyclic compounds
  • oxanes
  • phenol ethers
  • primary alcohols
  • secondary alcohols
    • Substituents
  • alcohol
  • phenol ether
  • benzoxepine
  • heteroaromatic compound
  • 1-hydroxy-2-unsubstituted benzenoid
  • monosaccharide
  • lactone
  • oxacycle
  • saccharide
  • organic oxide
  • organic oxygen compound
  • acetal
  • aromatic heteropolycyclic compound
  • secondary alcohol
  • hydrocarbon derivative
  • benzenoid
  • oxane
  • primary alcohol
  • organooxygen compound