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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:38:58 UTC
Update Date2025-03-25 00:46:07 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02153400
Frequency0.5
Structure
Chemical FormulaC15H14O3
Molecular Mass242.0943
SMILESCOc1ccc2c(c1)Oc1cc(O)ccc1CC2
InChI KeyPVOXSLCUBCCUPW-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classbenzoxepines
Subclass dibenzoxepines
Direct Parent dibenzoxepines
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • alkyl aryl ethers
  • anisoles
  • diarylethers
  • hydrocarbon derivatives
  • oxacyclic compounds
    • Substituents
  • diaryl ether
  • phenol ether
  • ether
  • 1-hydroxy-2-unsubstituted benzenoid
  • alkyl aryl ether
  • oxacycle
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • anisole
  • hydrocarbon derivative
  • benzenoid
  • dibenzoxepine
  • organooxygen compound