Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:05:10 UTC
Update Date2025-03-25 00:55:37 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02213350
Frequency0.5
Structure
Chemical FormulaC9H14N2O3
Molecular Mass198.1004
SMILESCN(C)Cc1ccc(COC(N)=O)o1
InChI KeyQGWDPEDWUBLQNP-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic nitrogen compounds
Classorganonitrogen compounds
Subclass amines
Direct Parent aralkylamines
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • carbamate esters
  • carbonyl compounds
  • furans
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • organic carbonic acids and derivatives
  • organic oxides
  • organopnictogen compounds
  • oxacyclic compounds
  • trialkylamines
  • Substituents
  • furan
  • carbonyl group
  • carbonic acid derivative
  • aromatic heteromonocyclic compound
  • heteroaromatic compound
  • tertiary aliphatic amine
  • carbamic acid ester
  • aralkylamine
  • oxacycle
  • organic oxide
  • organic oxygen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • tertiary amine
  • organoheterocyclic compound
  • organooxygen compound