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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:07:56 UTC
Update Date2025-03-25 00:56:38 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02219691
Frequency0.5
Structure
Chemical FormulaC19H30O4
Molecular Mass322.2144
SMILESCc1c(C)c2c(c(C)c1O)CC(O)C(C)(CCCC(C)(C)O)O2
InChI KeyLFABAKQXNKCINK-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classbenzopyrans
Subclass 1-benzopyrans
Direct Parent 1-benzopyrans
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • alkyl aryl ethers
  • benzenoids
  • hydrocarbon derivatives
  • oxacyclic compounds
  • secondary alcohols
  • tertiary alcohols
    • Substituents
  • alcohol
  • ether
  • 1-benzopyran
  • alkyl aryl ether
  • oxacycle
  • tertiary alcohol
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • secondary alcohol
  • hydrocarbon derivative
  • benzenoid
  • organooxygen compound