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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:40:10 UTC
Update Date2025-03-25 00:46:36 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02156200
Frequency0.5
Structure
Chemical FormulaC13H18O4
Molecular Mass238.1205
SMILESCc1c(O)c(O)c(C)c2c1CC(C(C)(C)O)O2
InChI KeyTVWKAVONOFNPQP-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classcoumarans
Subclass coumarans
Direct Parent coumarans
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • alkyl aryl ethers
  • benzenoids
  • hydrocarbon derivatives
  • oxacyclic compounds
  • tertiary alcohols
    • Substituents
  • alcohol
  • ether
  • alkyl aryl ether
  • oxacycle
  • tertiary alcohol
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • hydrocarbon derivative
  • benzenoid
  • coumaran
  • organooxygen compound