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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:41:21 UTC
Update Date2025-03-25 00:47:00 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02158762
Frequency0.5
Structure
Chemical FormulaC11H12O3
Molecular Mass192.0786
SMILESOc1ccc2c(c1)OC1C(O)CCC21
InChI KeyUKDKBQHIEHDUKC-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
  • cyclic alcohols and derivatives
  • hydrocarbon derivatives
  • oxacyclic compounds
  • secondary alcohols
    • Substituents
  • alcohol
  • ether
  • 1-hydroxy-2-unsubstituted benzenoid
  • cyclic alcohol
  • alkyl aryl ether
  • oxacycle
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • secondary alcohol
  • hydrocarbon derivative
  • benzenoid
  • coumaran
  • organooxygen compound