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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:04:28 UTC
Update Date2025-03-25 00:55:19 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02211651
Frequency0.5
Structure
Chemical FormulaC14H20N2O
Molecular Mass232.1576
SMILESCC(=O)NCCCNC1Cc2ccccc2C1
InChI KeyLWSSUUGJWFCVRF-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classindanes
Subclass indanes
Direct Parent indanes
Geometric Descriptor aromatic homopolycyclic compounds
Alternative Parents
  • acetamides
  • amino acids and derivatives
  • carbonyl compounds
  • carboxylic acids and derivatives
  • dialkylamines
  • hydrocarbon derivatives
  • organic oxides
  • organopnictogen compounds
  • secondary carboxylic acid amides
    • Substituents
  • secondary aliphatic amine
  • carbonyl group
  • amino acid or derivatives
  • aromatic homopolycyclic compound
  • secondary amine
  • carboxamide group
  • carboxylic acid derivative
  • secondary carboxylic acid amide
  • organic oxide
  • organic oxygen compound
  • indane
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • acetamide
  • organooxygen compound
  • amine