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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:40:04 UTC
Update Date2025-03-25 00:46:34 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02155961
Frequency0.5
Structure
Chemical FormulaC20H22NO2+
Molecular Mass308.1645
SMILESC[N+](C)(C)C(Cc1cccc2cc3ccccc3cc12)C(=O)O
InChI KeyLFFILGOCHTYNCJ-UHFFFAOYSA-O
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classanthracenes
Subclass anthracenes
Direct Parent anthracenes
Geometric Descriptor aromatic homopolycyclic compounds
Alternative Parents
  • alpha amino acids
  • amines
  • carbonyl compounds
  • carboxylic acids
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic cations
  • organic oxides
  • organic salts
  • organopnictogen compounds
  • tetraalkylammonium salts
    • Substituents
  • anthracene
  • carbonyl group
  • carboxylic acid
  • tetraalkylammonium salt
  • quaternary ammonium salt
  • aromatic homopolycyclic compound
  • alpha-amino acid or derivatives
  • carboxylic acid derivative
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • alpha-amino acid
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organic cation
  • organic salt
  • amine
  • organooxygen compound