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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:11:39 UTC
Update Date2025-03-25 00:57:59 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02228028
Frequency0.5
Structure
Chemical FormulaC18H24O3
Molecular Mass288.1725
SMILESC=C(C)C(=O)CC1(C)CCc2c(C)c(O)c(C)c(C)c2O1
InChI KeyLRZUQZPPFDWQEB-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classbenzopyrans
Subclass 1-benzopyrans
Direct Parent 1-benzopyrans
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • acryloyl compounds
  • alkyl aryl ethers
  • alpha-branched alpha,beta-unsaturated ketones
  • benzenoids
  • enones
  • hydrocarbon derivatives
  • ketones
  • organic oxides
  • oxacyclic compounds
    • Substituents
  • alpha-branched alpha,beta-unsaturated-ketone
  • carbonyl group
  • ether
  • 1-benzopyran
  • alkyl aryl ether
  • alpha,beta-unsaturated ketone
  • ketone
  • oxacycle
  • organic oxide
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • hydrocarbon derivative
  • benzenoid
  • acryloyl-group
  • organooxygen compound
  • enone