Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:19:43 UTC
Update Date2025-03-21 18:36:15 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00109654
Frequency24.4
Structure
Chemical FormulaC10H16N2O3
Molecular Mass212.1161
SMILESNCc1[nH]cc(CCCO)c1CC(=O)O
InChI KeyUBEDFNRFRPDCII-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classheteroaromatic compounds
Subclass heteroaromatic compounds
Direct Parent heteroaromatic compounds
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • alcohols and polyols
  • azacyclic compounds
  • carbonyl compounds
  • carboxylic acids
  • hydrocarbon derivatives
  • monoalkylamines
  • monocarboxylic acids and derivatives
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • pyrroles
  • Substituents
  • alcohol
  • carbonyl group
  • carboxylic acid
  • aromatic heteromonocyclic compound
  • azacycle
  • heteroaromatic compound
  • carboxylic acid derivative
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • pyrrole
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • primary aliphatic amine
  • organic nitrogen compound
  • organooxygen compound