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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:39:43 UTC
Update Date2025-03-25 00:46:25 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02155204
Frequency0.5
Structure
Chemical FormulaC12H14O2
Molecular Mass190.0994
SMILESCc1cc2c(cc1C)C(=O)C(C)OC2
InChI KeyIMVMCNUMDHZIKL-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classbenzopyrans
Subclass 2-benzopyrans
Direct Parent 2-benzopyrans
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • aryl alkyl ketones
  • benzenoids
  • dialkyl ethers
  • hydrocarbon derivatives
  • organic oxides
  • oxacyclic compounds
    • Substituents
  • ether
  • aryl alkyl ketone
  • dialkyl ether
  • ketone
  • oxacycle
  • organic oxide
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • 2-benzopyran
  • hydrocarbon derivative
  • benzenoid
  • organooxygen compound
  • aryl ketone