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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:41:25 UTC
Update Date2025-03-25 00:47:01 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02158911
Frequency0.5
Structure
Chemical FormulaC11H12O2
Molecular Mass176.0837
SMILESc1ccc2c(c1)OCC1OCCC21
InChI KeyDQSQHTDJRLSANA-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classbenzopyrans
Subclass 1-benzopyrans
Direct Parent 1-benzopyrans
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • alkyl aryl ethers
  • benzenoids
  • dialkyl ethers
  • furans
  • furopyrans
  • hydrocarbon derivatives
  • oxacyclic compounds
  • pyrans
  • tetrahydrofurans
    • Substituents
  • furan
  • ether
  • 1-benzopyran
  • tetrahydrofuran
  • furopyran
  • alkyl aryl ether
  • dialkyl ether
  • oxacycle
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • pyran
  • hydrocarbon derivative
  • benzenoid
  • organooxygen compound