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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:19:42 UTC
Update Date2025-03-25 01:01:01 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02246434
Frequency0.5
Structure
Chemical FormulaC31H38N2O4
Molecular Mass502.2832
SMILESCCC1=C(C)C(=O)NC1Cc1[nH]c(C=C2C(=O)CC(C)(C)c3cc(C)c(C)cc32)c(CCC(=O)O)c1C
InChI KeyKRPJQZJLQBHAFB-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classtetralins
Subclass tetralins
Direct Parent tetralins
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • azacyclic compounds
  • carboxylic acids
  • cyclic ketones
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • lactams
  • monocarboxylic acids and derivatives
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • pyrroles
  • pyrrolines
  • secondary carboxylic acid amides
    • Substituents
  • tetralin
  • carbonyl group
  • lactam
  • carboxylic acid
  • cyclic ketone
  • carboxylic acid derivative
  • ketone
  • organic oxide
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • organoheterocyclic compound
  • azacycle
  • heteroaromatic compound
  • carboxamide group
  • secondary carboxylic acid amide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • pyrroline
  • pyrrole
  • hydrocarbon derivative
  • organic nitrogen compound
  • organooxygen compound