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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:41:42 UTC
Update Date2025-03-25 00:47:06 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02159538
Frequency0.5
Structure
Chemical FormulaC12H11NO3
Molecular Mass217.0739
SMILESO=Cc1ccc(CNc2ccc(O)cc2)o1
InChI KeyJMDRDHISPKENIC-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic nitrogen compounds
Classorganonitrogen compounds
Subclass amines
Direct Parent phenylalkylamines
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • aryl-aldehydes
  • benzene and substituted derivatives
  • furans
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • organic oxides
  • organooxygen compounds
  • organopnictogen compounds
  • oxacyclic compounds
  • secondary alkylarylamines
    • Substituents
  • furan
  • monocyclic benzene moiety
  • aromatic heteromonocyclic compound
  • heteroaromatic compound
  • 1-hydroxy-2-unsubstituted benzenoid
  • aldehyde
  • secondary amine
  • secondary aliphatic/aromatic amine
  • oxacycle
  • organic oxide
  • aryl-aldehyde
  • organic oxygen compound
  • organopnictogen compound
  • phenylalkylamine
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • organoheterocyclic compound
  • organooxygen compound