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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:19:39 UTC
Update Date2025-03-25 01:01:00 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02246306
Frequency0.5
Structure
Chemical FormulaC18H22N2O4
Molecular Mass330.158
SMILESCC1=C2Nc3[nH]c(c(C)c3CCCC(=O)O)CC2=C1CCC(=O)O
InChI KeyISOSYSOYMWDBLE-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classdiazepines
Subclass 1,3-diazepines
Direct Parent 1,3-diazepines
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • amino acids
  • azacyclic compounds
  • carbonyl compounds
  • carboxylic acids
  • dicarboxylic acids and derivatives
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • organic oxides
  • organopnictogen compounds
  • pyrroles
  • secondary alkylarylamines
    • Substituents
  • meta-diazepine
  • carbonyl group
  • carboxylic acid
  • azacycle
  • amino acid or derivatives
  • amino acid
  • heteroaromatic compound
  • secondary amine
  • carboxylic acid derivative
  • secondary aliphatic/aromatic amine
  • organic oxide
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • pyrrole
  • organonitrogen compound
  • dicarboxylic acid or derivatives
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organooxygen compound
  • amine