Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:11:28 UTC
Update Date2025-03-25 00:57:55 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02227617
Frequency0.5
Structure
Chemical FormulaC9H10N2O
Molecular Mass162.0793
SMILESCC(=O)N=C(N)c1ccccc1
InChI KeyFYMUWEKGEOTFAW-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass benzene and substituted derivatives
Direct Parent benzene and substituted derivatives
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • carbonyl compounds
  • carboximidamides
  • carboxylic acids and derivatives
  • hydrocarbon derivatives
  • n-acylimines
  • organic oxides
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
  • Substituents
  • n-acylimine
  • monocyclic benzene moiety
  • carbonyl group
  • organic 1,3-dipolar compound
  • carboximidamide
  • carboxylic acid derivative
  • propargyl-type 1,3-dipolar organic compound
  • aromatic homomonocyclic compound
  • organic oxide
  • organic oxygen compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organooxygen compound