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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:50:26 UTC
Update Date2025-03-25 00:50:13 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02179504
Frequency0.5
Structure
Chemical FormulaC16H14O3
Molecular Mass254.0943
SMILESCOc1ccc2c3c1OC1C=C(C)C(=O)C=C3C1C2
InChI KeyGAHXYCDGUPUDIR-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
  • cyclic ketones
  • hydrocarbon derivatives
  • indanes
  • organic oxides
  • oxacyclic compounds
    • Substituents
  • phenol ether
  • carbonyl group
  • ether
  • 1-benzopyran
  • cyclic ketone
  • alkyl aryl ether
  • ketone
  • oxacycle
  • organic oxide
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • anisole
  • indane
  • hydrocarbon derivative
  • benzenoid
  • organooxygen compound