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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:00:16 UTC
Update Date2025-03-25 00:53:46 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02201849
Frequency0.5
Structure
Chemical FormulaC13H18O2
Molecular Mass206.1307
SMILESCc1cc(O)c2c(c1)OC(C)C(C)C2C
InChI KeyVCGQEELNMQXMMT-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classbenzopyrans
Subclass 1-benzopyrans
Direct Parent 1-benzopyrans
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • 1-hydroxy-4-unsubstituted benzenoids
  • alkyl aryl ethers
  • benzenoids
  • hydrocarbon derivatives
  • oxacyclic compounds
    • Substituents
  • ether
  • 1-benzopyran
  • 1-hydroxy-2-unsubstituted benzenoid
  • 1-hydroxy-4-unsubstituted benzenoid
  • alkyl aryl ether
  • oxacycle
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • hydrocarbon derivative
  • benzenoid
  • organooxygen compound