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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:10:29 UTC
Update Date2025-03-25 00:57:33 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02225479
Frequency0.5
Structure
Chemical FormulaC16H22O4
Molecular Mass278.1518
SMILESCC(=O)OC1Cc2c(C)c(O)c(C)c(C)c2OC1(C)C
InChI KeyYODWQSTVIDOTIC-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classbenzopyrans
Subclass 1-benzopyrans
Direct Parent 2,2-dimethyl-1-benzopyrans
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • alkyl aryl ethers
  • benzenoids
  • carbonyl compounds
  • carboxylic acid esters
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • oxacyclic compounds
  • Substituents
  • carbonyl group
  • ether
  • 2,2-dimethyl-1-benzopyran
  • alkyl aryl ether
  • carboxylic acid derivative
  • oxacycle
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • carboxylic acid ester
  • hydrocarbon derivative
  • benzenoid
  • organooxygen compound