Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:49:41 UTC
Update Date2025-03-25 00:49:57 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02177819
Frequency0.5
Structure
Chemical FormulaC11H13NO2
Molecular Mass191.0946
SMILESCc1ccc(C2COC(=O)N2C)cc1
InChI KeyOBZAUXNOEKUQTJ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass toluenes
Direct Parent toluenes
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • azacyclic compounds
  • carbamate esters
  • carbonyl compounds
  • hydrocarbon derivatives
  • organic carbonic acids and derivatives
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • oxacyclic compounds
  • oxazolidinones
  • Substituents
  • carbonyl group
  • carbonic acid derivative
  • aromatic heteromonocyclic compound
  • azacycle
  • carbamic acid ester
  • oxacycle
  • oxazolidinone
  • organic oxide
  • organic oxygen compound
  • oxazolidine
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • toluene
  • organoheterocyclic compound
  • organooxygen compound