Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:37:10 UTC
Update Date2025-03-25 00:45:26 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02149168
Frequency0.5
Structure
Chemical FormulaC11H13NO
Molecular Mass175.0997
SMILESO=C1NCC1CCc1ccccc1
InChI KeyGCIXIWYWLXPKKN-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classlactams
Subclass beta lactams
Direct Parent monobactams
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • azacyclic compounds
  • azetidines
  • benzene and substituted derivatives
  • carbonyl compounds
  • carboxylic acids and derivatives
  • hydrocarbon derivatives
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • secondary carboxylic acid amides
  • Substituents
  • monocyclic benzene moiety
  • carbonyl group
  • aromatic heteromonocyclic compound
  • azacycle
  • monobactam
  • carboxamide group
  • carboxylic acid derivative
  • azetidine
  • secondary carboxylic acid amide
  • organic oxide
  • organic oxygen compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • organooxygen compound