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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:51:11 UTC
Update Date2025-03-25 00:50:28 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02181222
Frequency0.5
Structure
Chemical FormulaC10H10O5
Molecular Mass210.0528
SMILESO=C(O)CC1(O)COc2ccc(O)cc21
InChI KeyIJFJRDUXYNYGGT-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classcoumarans
Subclass coumarans
Direct Parent coumarans
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • alkyl aryl ethers
  • benzenoids
  • carbonyl compounds
  • carboxylic acids
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • oxacyclic compounds
  • tertiary alcohols
    • Substituents
  • alcohol
  • carbonyl group
  • ether
  • carboxylic acid
  • 1-hydroxy-2-unsubstituted benzenoid
  • alkyl aryl ether
  • carboxylic acid derivative
  • oxacycle
  • tertiary alcohol
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • hydrocarbon derivative
  • benzenoid
  • coumaran
  • organooxygen compound