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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:50:29 UTC
Update Date2025-03-25 00:50:13 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02179611
Frequency0.5
Structure
Chemical FormulaC12H14O3
Molecular Mass206.0943
SMILESOc1ccc2c(c1)OC1(CCCCC1)O2
InChI KeyOPBCUSBGBBSDQU-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classbenzodioxoles
Subclass benzodioxoles
Direct Parent benzodioxoles
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • benzenoids
  • hydrocarbon derivatives
  • ketals
  • organooxygen compounds
  • oxacyclic compounds
    • Substituents
  • oxacycle
  • organic oxygen compound
  • acetal
  • aromatic heteropolycyclic compound
  • ketal
  • 1-hydroxy-2-unsubstituted benzenoid
  • hydrocarbon derivative
  • benzenoid
  • organooxygen compound
  • benzodioxole