Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:20:18 UTC
Update Date2025-03-21 18:36:32 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00111087
Frequency24.0
Structure
Chemical FormulaC27H29NO2
Molecular Mass399.2198
SMILESO=C(O)C1CCN(CCC(c2ccccc2)(c2ccccc2)c2ccccc2)CC1
InChI KeyHWLAAPDPDWTPNS-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classtriphenyl compounds
Subclass triphenyl compounds
Direct Parent triphenyl compounds
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • amino acids
  • azacyclic compounds
  • benzene and substituted derivatives
  • carbonyl compounds
  • carboxylic acids
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • organopnictogen compounds
  • piperidinecarboxylic acids
  • piperidines
  • trialkylamines
  • Substituents
  • monocyclic benzene moiety
  • carbonyl group
  • carboxylic acid
  • aromatic heteromonocyclic compound
  • amino acid or derivatives
  • amino acid
  • carboxylic acid derivative
  • organic oxide
  • triphenyl compound
  • organonitrogen compound
  • organopnictogen compound
  • piperidinecarboxylic acid
  • piperidine
  • tertiary amine
  • organoheterocyclic compound
  • azacycle
  • tertiary aliphatic amine
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • amine
  • organooxygen compound