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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:18:40 UTC
Update Date2025-03-21 18:35:44 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00107076
Frequency25.1
Structure
Chemical FormulaC10H10O4
Molecular Mass194.0579
SMILESO=C(O)CC1Cc2ccc(O)cc2O1
InChI KeyHRUHFEQNMWANCD-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
    • Substituents
  • carbonyl group
  • ether
  • carboxylic acid
  • 1-hydroxy-2-unsubstituted benzenoid
  • alkyl aryl ether
  • carboxylic acid derivative
  • oxacycle
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • hydrocarbon derivative
  • benzenoid
  • coumaran
  • organooxygen compound