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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:00:24 UTC
Update Date2025-03-25 00:53:49 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02202171
Frequency0.5
Structure
Chemical FormulaC12H16O3
Molecular Mass208.1099
SMILESCOC1c2ccccc2OC(C)(C)C1O
InChI KeyFHZKHZICTZCTQM-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classbenzopyrans
Subclass 1-benzopyrans
Direct Parent 2,2-dimethyl-1-benzopyrans
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • alkyl aryl ethers
  • benzenoids
  • dialkyl ethers
  • hydrocarbon derivatives
  • oxacyclic compounds
  • secondary alcohols
    • Substituents
  • alcohol
  • ether
  • 2,2-dimethyl-1-benzopyran
  • alkyl aryl ether
  • dialkyl ether
  • oxacycle
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • secondary alcohol
  • hydrocarbon derivative
  • benzenoid
  • organooxygen compound