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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:17:43 UTC
Update Date2025-03-21 18:35:16 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00104776
Frequency25.8
Structure
Chemical FormulaC13H10O2
Molecular Mass198.0681
SMILESOc1ccc2c(c1)-c1ccccc1OC2
InChI KeyCOAVOFOBTRTRBB-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classbenzopyrans
Subclass 1-benzopyrans
Direct Parent dibenzopyrans
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • 2-benzopyrans
  • alkyl aryl ethers
  • benzenoids
  • hydrocarbon derivatives
  • oxacyclic compounds
    • Substituents
  • ether
  • 1-hydroxy-2-unsubstituted benzenoid
  • alkyl aryl ether
  • dibenzopyran
  • oxacycle
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • 2-benzopyran
  • hydrocarbon derivative
  • benzenoid
  • organooxygen compound