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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:50:24 UTC
Update Date2025-03-25 00:50:12 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02179426
Frequency0.5
Structure
Chemical FormulaC11H14O3
Molecular Mass194.0943
SMILESCOc1ccc2c(c1)C(O)C(C)CO2
InChI KeySXDRRWBCTPBIOZ-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
  • anisoles
  • hydrocarbon derivatives
  • oxacyclic compounds
  • secondary alcohols
    • Substituents
  • alcohol
  • phenol ether
  • ether
  • 1-benzopyran
  • alkyl aryl ether
  • oxacycle
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • anisole
  • secondary alcohol
  • hydrocarbon derivative
  • benzenoid
  • organooxygen compound