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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:54:07 UTC
Update Date2025-03-25 00:51:34 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02187925
Frequency0.5
Structure
Chemical FormulaC18H27NO3
Molecular Mass305.1991
SMILESCC(=O)NCCCC1(C)CCc2c(C)c(C)c(O)c(C)c2O1
InChI KeyNJSRPUYJWPNZLS-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classbenzopyrans
Subclass 1-benzopyrans
Direct Parent 1-benzopyrans
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • acetamides
  • alkyl aryl ethers
  • benzenoids
  • carbonyl compounds
  • carboxylic acids and derivatives
  • hydrocarbon derivatives
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • oxacyclic compounds
  • secondary carboxylic acid amides
    • Substituents
  • carbonyl group
  • ether
  • 1-benzopyran
  • alkyl aryl ether
  • carboxamide group
  • carboxylic acid derivative
  • oxacycle
  • secondary carboxylic acid amide
  • organic oxide
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • acetamide
  • organooxygen compound