Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 05:13:45 UTC
Update Date2025-03-24 14:14:23 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00803102
Frequency1.9
Structure
Chemical FormulaC6H7NO3
Molecular Mass141.0426
SMILESO=C1OC(=O)N2CCCC12
InChI KeyJNWNBXNPBSVNMU-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic acids and derivatives
Classcarboxylic acids and derivatives
Subclass amino acids, peptides, and analogues
Direct Parent alpha amino acids
Geometric Descriptor aliphatic heteropolycyclic compounds
Alternative Parents
  • azacyclic compounds
  • carbonyl compounds
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic carbonic acids and derivatives
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • oxacyclic compounds
  • oxazolidinones
  • pyrrolidines
  • Substituents
  • carbonyl group
  • carbonic acid derivative
  • azacycle
  • aliphatic heteropolycyclic compound
  • oxacycle
  • oxazolidinone
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • oxazolidine
  • organonitrogen compound
  • alpha-amino acid
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • pyrrolidine
  • organoheterocyclic compound
  • organooxygen compound