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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:41:39 UTC
Update Date2025-03-25 00:47:05 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02159428
Frequency0.5
Structure
Chemical FormulaC9H8O4
Molecular Mass180.0423
SMILESO=CC1(O)Cc2ccc(O)cc2O1
InChI KeyFWNNZZLDSQXHFK-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
  • aldehydes
  • benzenoids
  • hemiacetals
  • hydrocarbon derivatives
  • organic oxides
  • oxacyclic compounds
    • Substituents
  • carbonyl group
  • 1-hydroxy-2-unsubstituted benzenoid
  • aldehyde
  • oxacycle
  • organic oxide
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • hemiacetal
  • hydrocarbon derivative
  • benzenoid
  • coumaran
  • organooxygen compound