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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 IDDMID02155178
Frequency0.5
Structure
Chemical FormulaC13H16O2
Molecular Mass204.115
SMILESCc1cc(C)c2c(c1)OC(C)C(C)C2=O
InChI KeyRJPUECVDUYVOJI-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classbenzopyrans
Subclass 1-benzopyrans
Direct Parent chromones
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • alkyl aryl ethers
  • aryl alkyl ketones
  • benzenoids
  • hydrocarbon derivatives
  • organic oxides
  • oxacyclic compounds
    • Substituents
  • ether
  • aryl alkyl ketone
  • alkyl aryl ether
  • ketone
  • oxacycle
  • organic oxide
  • organic oxygen compound
  • chromone
  • aromatic heteropolycyclic compound
  • hydrocarbon derivative
  • benzenoid
  • organooxygen compound
  • aryl ketone