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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:26:26 UTC
Update Date2025-03-21 18:39:26 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00125699
Frequency20.4
Structure
Chemical FormulaC10H10O5
Molecular Mass210.0528
SMILESCC1(O)Cc2c(O)cc(O)cc2OC1=O
InChI KeyANAFQUMQORPROB-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
  • 1-hydroxy-4-unsubstituted benzenoids
  • benzenoids
  • carbonyl compounds
  • carboxylic acid esters
  • hydrocarbon derivatives
  • lactones
  • monocarboxylic acids and derivatives
  • organic oxides
  • oxacyclic compounds
  • tertiary alcohols
    • Substituents
  • alcohol
  • carbonyl group
  • benzopyran
  • 1-benzopyran
  • 3,4-dihydrocoumarin
  • 1-hydroxy-2-unsubstituted benzenoid
  • 1-hydroxy-4-unsubstituted benzenoid
  • carboxylic acid derivative
  • lactone
  • oxacycle
  • tertiary alcohol
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • carboxylic acid ester
  • chromane
  • hydrocarbon derivative
  • benzenoid
  • organoheterocyclic compound
  • organooxygen compound