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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:07:55 UTC
Update Date2025-03-25 00:56:37 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02219679
Frequency0.5
Structure
Chemical FormulaC10H10O6
Molecular Mass226.0477
SMILESCOc1cc2c(cc1O)C(C(=O)O)OC2O
InChI KeyJXUPFHYLHGLHOV-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classisocoumarans
Subclass isocoumarans
Direct Parent isocoumarans
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • alkyl aryl ethers
  • anisoles
  • carbonyl compounds
  • carboxylic acids
  • hemiacetals
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • oxacyclic compounds
    • Substituents
  • phenol ether
  • carbonyl group
  • ether
  • carboxylic acid
  • 1-hydroxy-2-unsubstituted benzenoid
  • alkyl aryl ether
  • carboxylic acid derivative
  • oxacycle
  • organic oxide
  • monocarboxylic acid or derivatives
  • isocoumaran
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • anisole
  • hemiacetal
  • hydrocarbon derivative
  • benzenoid
  • organooxygen compound