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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:51:26 UTC
Update Date2025-03-25 00:50:34 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02181787
Frequency0.5
Structure
Chemical FormulaC17H14O5
Molecular Mass298.0841
SMILESO=C(O)C1=Cc2ccc(O)cc2OC(c2ccc(O)cc2)C1
InChI KeyUWTNQLWDZAZFQI-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
  • alkyl aryl ethers
  • benzene and substituted derivatives
  • carbonyl compounds
  • carboxylic acids
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • oxacyclic compounds
    • Substituents
  • monocyclic benzene moiety
  • carbonyl group
  • ether
  • carboxylic acid
  • benzoxepine
  • 1-hydroxy-2-unsubstituted benzenoid
  • alkyl aryl ether
  • carboxylic acid derivative
  • oxacycle
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • organooxygen compound