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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 04:31:04 UTC
Update Date2025-03-24 13:57:15 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00700775
Frequency2.2
Structure
Chemical FormulaC9H13N
Molecular Mass135.1048
SMILESCCc1ccc(NC)cc1
InChI KeyYHWQJTNMKZWBBN-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic nitrogen compounds
Classorganonitrogen compounds
Subclass amines
Direct Parent phenylalkylamines
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • benzene and substituted derivatives
  • hydrocarbon derivatives
  • organopnictogen compounds
  • secondary alkylarylamines
    • Substituents
  • aromatic homomonocyclic compound
  • monocyclic benzene moiety
  • organopnictogen compound
  • phenylalkylamine
  • hydrocarbon derivative
  • benzenoid
  • secondary amine
  • secondary aliphatic/aromatic amine