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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:07:30 UTC
Update Date2025-03-25 00:56:29 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02218681
Frequency0.5
Structure
Chemical FormulaC11H17NO3
Molecular Mass211.1208
SMILESCc1ccc(C)n1C1CC(O)C(CO)O1
InChI KeyBCMLUAVCUMAMCF-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpyrroles
Subclass substituted pyrroles
Direct Parent substituted pyrroles
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • azacyclic compounds
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • monosaccharides
  • organonitrogen compounds
  • organopnictogen compounds
  • oxacyclic compounds
  • primary alcohols
  • secondary alcohols
  • tetrahydrofurans
  • Substituents
  • alcohol
  • aromatic heteromonocyclic compound
  • azacycle
  • tetrahydrofuran
  • heteroaromatic compound
  • monosaccharide
  • substituted pyrrole
  • oxacycle
  • saccharide
  • organic oxygen compound
  • organonitrogen compound
  • secondary alcohol
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • primary alcohol
  • organooxygen compound