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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:49:38 UTC
Update Date2025-03-25 00:49:57 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02177702
Frequency0.5
Structure
Chemical FormulaC15H22O2
Molecular Mass234.162
SMILESCc1cc2c(cc1C)C(C)(C)OC2C(C)(C)O
InChI KeyNSHWQGMDDDIZMA-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classisocoumarans
Subclass isocoumarans
Direct Parent isocoumarans
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • benzenoids
  • dialkyl ethers
  • hydrocarbon derivatives
  • oxacyclic compounds
  • tertiary alcohols
    • Substituents
  • alcohol
  • ether
  • dialkyl ether
  • oxacycle
  • tertiary alcohol
  • isocoumaran
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • hydrocarbon derivative
  • benzenoid
  • organooxygen compound