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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:20:28 UTC
Update Date2025-03-21 18:36:36 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00111470
Frequency23.9
Structure
Chemical FormulaC13H16O3
Molecular Mass220.1099
SMILESCc1c(O)cc2c(c1C)OC(=O)CC2(C)C
InChI KeyAQPMOJIQTWUGGG-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassphenylpropanoids and polyketides
Class3,4-dihydrocoumarins
Subclass 3,4-dihydrocoumarins
Direct Parent 3,4-dihydrocoumarins
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1-benzopyrans
  • 1-hydroxy-2-unsubstituted benzenoids
  • benzenoids
  • carbonyl compounds
  • carboxylic acid esters
  • hydrocarbon derivatives
  • lactones
  • monocarboxylic acids and derivatives
  • organic oxides
  • oxacyclic compounds
    • Substituents
  • carbonyl group
  • benzopyran
  • 1-benzopyran
  • 3,4-dihydrocoumarin
  • 1-hydroxy-2-unsubstituted benzenoid
  • carboxylic acid derivative
  • lactone
  • oxacycle
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • carboxylic acid ester
  • chromane
  • hydrocarbon derivative
  • benzenoid
  • organoheterocyclic compound
  • organooxygen compound