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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:50:50 UTC
Update Date2025-03-25 00:50:21 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02180411
Frequency0.5
Structure
Chemical FormulaC14H12O3
Molecular Mass228.0786
SMILESCOc1cc2c(cc1O)Oc1ccccc1C2
InChI KeyXIHXWPMGEQPBTM-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classbenzopyrans
Subclass 1-benzopyrans
Direct Parent xanthenes
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
  • xanthene
  • oxacycle
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • anisole
  • hydrocarbon derivative
  • benzenoid
  • organooxygen compound