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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:21:55 UTC
Update Date2025-03-25 01:01:45 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02251524
Frequency0.5
Structure
Chemical FormulaC9H10O5
Molecular Mass198.0528
SMILESOc1cc2c(cc1O)OC(C(O)O)C2
InChI KeyBVLJJJPHSKQZOC-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 hydrates
  • hydrocarbon derivatives
  • oxacyclic compounds
    • Substituents
  • ether
  • carbonyl hydrate
  • 1-hydroxy-2-unsubstituted benzenoid
  • alkyl aryl ether
  • oxacycle
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • hydrocarbon derivative
  • benzenoid
  • coumaran
  • organooxygen compound