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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:18:46 UTC
Update Date2025-03-21 18:35:48 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00107333
Frequency25.0
Structure
Chemical FormulaC15H20O3
Molecular Mass248.1412
SMILESCc1c(C)c2c(c(C)c1O)CCC(C)(CC=O)O2
InChI KeyGWXNKPRWKXUNFK-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
  • alpha-hydrogen aldehydes
  • benzenoids
  • hydrocarbon derivatives
  • organic oxides
  • oxacyclic compounds
    • Substituents
  • carbonyl group
  • ether
  • 1-benzopyran
  • aldehyde
  • alkyl aryl ether
  • oxacycle
  • organic oxide
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • alpha-hydrogen aldehyde
  • hydrocarbon derivative
  • benzenoid
  • organooxygen compound