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Record Information
HMDB StatusNot Available
Creation Date2024-02-20 23:58:04 UTC
Update Date2025-03-21 18:05:33 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00057570
Frequency55.1
Structure
Chemical FormulaC18H17NO4
Molecular Mass311.1158
SMILESCOc1ccc(C2c3ccccc3NC(=O)C2OC(C)=O)cc1
InChI KeyNDEIHKNAEUPNGY-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classquinolines and derivatives
Subclass phenylquinolines
Direct Parent phenylquinolines
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • alkyl aryl ethers
  • anisoles
  • azacyclic compounds
  • carbonyl compounds
  • carboxylic acid esters
  • hydrocarbon derivatives
  • hydroquinolines
  • hydroquinolones
  • lactams
  • methoxybenzenes
  • monocarboxylic acids and derivatives
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • phenoxy compounds
  • secondary carboxylic acid amides
  • Substituents
  • phenol ether
  • monocyclic benzene moiety
  • carbonyl group
  • ether
  • lactam
  • phenylquinoline
  • alkyl aryl ether
  • carboxylic acid derivative
  • organic oxide
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • tetrahydroquinoline
  • quinolone
  • tetrahydroquinolone
  • azacycle
  • carboxamide group
  • methoxybenzene
  • secondary carboxylic acid amide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • anisole
  • carboxylic acid ester
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • phenoxy compound
  • organooxygen compound