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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:57:51 UTC
Update Date2025-03-25 00:52:49 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02196290
Frequency0.5
Structure
Chemical FormulaC15H19NO3
Molecular Mass261.1365
SMILESCC1=C(C)C(Cc2cc(C)c(O)c(C)c2O)NC1=O
InChI KeyGPFFVCSECLSXGX-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classphenols
Subclass benzenediols
Direct Parent resorcinols
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • azacyclic compounds
  • carbonyl compounds
  • carboxylic acids and derivatives
  • hydrocarbon derivatives
  • lactams
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • ortho cresols
  • para cresols
  • phenols
  • pyrrolines
  • secondary carboxylic acid amides
  • m-xylenes
    • Substituents
  • monocyclic benzene moiety
  • carbonyl group
  • lactam
  • aromatic heteromonocyclic compound
  • carboxylic acid derivative
  • resorcinol
  • xylene
  • organic oxide
  • p-cresol
  • o-cresol
  • organonitrogen compound
  • organopnictogen compound
  • organoheterocyclic compound
  • azacycle
  • m-xylene
  • carboxamide group
  • secondary carboxylic acid amide
  • organic oxygen compound
  • pyrroline
  • hydrocarbon derivative
  • organic nitrogen compound
  • organooxygen compound