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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:20:47 UTC
Update Date2025-03-25 01:01:22 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02248872
Frequency0.5
Structure
Chemical FormulaC12H14O3
Molecular Mass206.0943
SMILESCOc1cc2c(cc1O)CC1CCC2O1
InChI KeyGTANOSYCZVFXHV-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classbenzopyrans
Subclass 2-benzopyrans
Direct Parent 2-benzopyrans
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • alkyl aryl ethers
  • anisoles
  • dialkyl ethers
  • hydrocarbon derivatives
  • oxacyclic compounds
  • tetrahydrofurans
    • Substituents
  • phenol ether
  • ether
  • tetrahydrofuran
  • 1-hydroxy-2-unsubstituted benzenoid
  • alkyl aryl ether
  • dialkyl ether
  • oxacycle
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • anisole
  • 2-benzopyran
  • hydrocarbon derivative
  • benzenoid
  • organooxygen compound