Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:00:52 UTC
Update Date2025-03-25 00:53:58 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02203224
Frequency0.5
Structure
Chemical FormulaC14H16N2O3
Molecular Mass260.1161
SMILESO=C(O)CC(O)CCn1cncc1-c1ccccc1
InChI KeyGWJMARWWXLRRCC-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classazoles
Subclass imidazoles
Direct Parent phenylimidazoles
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • azacyclic compounds
  • benzene and substituted derivatives
  • beta hydroxy acids and derivatives
  • carbonyl compounds
  • carboxylic acids
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • imidazoles
  • monocarboxylic acids and derivatives
  • n-substituted imidazoles
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • secondary alcohols
  • Substituents
  • monocyclic benzene moiety
  • carbonyl group
  • carboxylic acid
  • aromatic heteromonocyclic compound
  • carboxylic acid derivative
  • 4-phenylimidazole
  • beta-hydroxy acid
  • organic oxide
  • organonitrogen compound
  • organopnictogen compound
  • n-substituted imidazole
  • alcohol
  • azacycle
  • heteroaromatic compound
  • hydroxy acid
  • 5-phenylimidazole
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • secondary alcohol
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • organooxygen compound