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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:42:13 UTC
Update Date2025-03-25 00:47:17 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02160666
Frequency0.5
Structure
Chemical FormulaC15H17NO2
Molecular Mass243.1259
SMILESC=CC1=C(C)C(c2ccc(OC)cc2)N(C)C1=O
InChI KeyVIRRFHXRQZNKGV-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpyrrolines
Subclass phenylpyrrolines
Direct Parent phenylpyrrolines
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • alkyl aryl ethers
  • anisoles
  • azacyclic compounds
  • carbonyl compounds
  • carboxylic acids and derivatives
  • hydrocarbon derivatives
  • lactams
  • methoxybenzenes
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • phenoxy compounds
  • pyrroles
  • tertiary carboxylic acid amides
    • Substituents
  • phenol ether
  • monocyclic benzene moiety
  • carbonyl group
  • ether
  • lactam
  • aromatic heteromonocyclic compound
  • alkyl aryl ether
  • carboxylic acid derivative
  • organic oxide
  • tertiary carboxylic acid amide
  • organonitrogen compound
  • organopnictogen compound
  • azacycle
  • 2-phenylpyrroline
  • carboxamide group
  • methoxybenzene
  • organic oxygen compound
  • anisole
  • pyrrole
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • phenoxy compound
  • organooxygen compound