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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:45:37 UTC
Update Date2025-03-25 00:48:29 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02168453
Frequency0.5
Structure
Chemical FormulaC13H16O3
Molecular Mass220.1099
SMILESCC(C)C1(C=O)CCc2ccc(O)cc2O1
InChI KeyOIJGQKABXCSLRO-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classbenzopyrans
Subclass 1-benzopyrans
Direct Parent 1-benzopyrans
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • aldehydes
  • alkyl aryl ethers
  • benzenoids
  • hydrocarbon derivatives
  • organic oxides
  • oxacyclic compounds
    • Substituents
  • carbonyl group
  • ether
  • 1-benzopyran
  • 1-hydroxy-2-unsubstituted benzenoid
  • aldehyde
  • alkyl aryl ether
  • oxacycle
  • organic oxide
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • hydrocarbon derivative
  • benzenoid
  • organooxygen compound