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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:44:29 UTC
Update Date2025-03-25 00:48:04 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02165867
Frequency0.5
Structure
Chemical FormulaC19H27NO6
Molecular Mass365.1838
SMILESCC1C(Oc2ccc(CC3CCC(=O)N3)cc2)OC(C(O)O)C(O)C1C
InChI KeyDLZBRWHSBCGRMZ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classphenol ethers
Subclass phenol ethers
Direct Parent phenol ethers
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • acetals
  • azacyclic compounds
  • carbonyl compounds
  • carbonyl hydrates
  • carboxylic acids and derivatives
  • hydrocarbon derivatives
  • lactams
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • oxacyclic compounds
  • oxanes
  • phenoxy compounds
  • pyrrolidine-2-ones
  • secondary alcohols
  • secondary carboxylic acid amides
    • Substituents
  • 2-pyrrolidone
  • phenol ether
  • monocyclic benzene moiety
  • carbonyl group
  • lactam
  • carbonyl hydrate
  • aromatic heteromonocyclic compound
  • carboxylic acid derivative
  • organic oxide
  • acetal
  • organonitrogen compound
  • organopnictogen compound
  • oxane
  • pyrrolidine
  • pyrrolidone
  • organoheterocyclic compound
  • alcohol
  • azacycle
  • carboxamide group
  • oxacycle
  • secondary carboxylic acid amide
  • organic oxygen compound
  • secondary alcohol
  • hydrocarbon derivative
  • organic nitrogen compound
  • phenoxy compound
  • organooxygen compound