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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:25:41 UTC
Update Date2025-03-21 18:39:05 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00123915
Frequency20.8
Structure
Chemical FormulaC14H20O3
Molecular Mass236.1412
SMILESCc1c(C)c2c(c(C)c1O)CC(C(C)(C)O)O2
InChI KeyLAFUPUFFSWFLJN-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