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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:05:19 UTC
Update Date2025-03-25 00:55:41 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02213666
Frequency0.5
Structure
Chemical FormulaC13H18N4O3
Molecular Mass278.1379
SMILESCN=C(N)NCCC(=O)c1cc(OC)ccc1NC=O
InChI KeyAHOMDAUGFSZCEJ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass carbonyl compounds
Direct Parent alkyl-phenylketones
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • alkyl aryl ethers
  • anilides
  • anisoles
  • aryl alkyl ketones
  • benzoyl derivatives
  • carboximidamides
  • carboxylic acids and derivatives
  • guanidines
  • hydrocarbon derivatives
  • imines
  • methoxybenzenes
  • n-arylamides
  • organic oxides
  • organopnictogen compounds
  • phenoxy compounds
  • propargyl-type 1,3-dipolar organic compounds
  • secondary carboxylic acid amides
  • vinylogous amides
    • Substituents
  • phenol ether
  • monocyclic benzene moiety
  • ether
  • aryl alkyl ketone
  • guanidine
  • imine
  • benzoyl
  • n-arylamide
  • alkyl aryl ether
  • carboxylic acid derivative
  • propargyl-type 1,3-dipolar organic compound
  • organic oxide
  • organonitrogen compound
  • organopnictogen compound
  • vinylogous amide
  • organic 1,3-dipolar compound
  • carboximidamide
  • carboxamide group
  • methoxybenzene
  • aromatic homomonocyclic compound
  • anilide
  • secondary carboxylic acid amide
  • anisole
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • phenoxy compound
  • alkyl-phenylketone