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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:37:26 UTC
Update Date2025-03-25 00:45:33 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02149796
Frequency0.5
Structure
Chemical FormulaC21H26O3
Molecular Mass326.1882
SMILESCc1c(C)c2c(c(C)c1O)CCC(C)(C(C)c1ccc(O)cc1)O2
InChI KeyUAKYLQIZAKGILC-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
  • alkyl aryl ethers
  • benzene and substituted derivatives
  • hydrocarbon derivatives
  • oxacyclic compounds
    • Substituents
  • monocyclic benzene moiety
  • ether
  • 1-benzopyran
  • 1-hydroxy-2-unsubstituted benzenoid
  • alkyl aryl ether
  • oxacycle
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • organooxygen compound