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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:18:18 UTC
Update Date2025-03-25 01:00:31 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02243120
Frequency0.5
Structure
Chemical FormulaC12H14O2
Molecular Mass190.0994
SMILESC=CC1(C)Cc2cc(C)c(O)cc2O1
InChI KeyDXUIKUQTFPDSJC-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
  • hydrocarbon derivatives
  • oxacyclic compounds
    • Substituents
  • oxacycle
  • ether
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • 1-hydroxy-2-unsubstituted benzenoid
  • hydrocarbon derivative
  • benzenoid
  • alkyl aryl ether
  • coumaran
  • organooxygen compound