Hmdb loader

Showing information for DMID00094683

Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:13:37 UTC
Update Date2025-03-21 18:33:12 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00094683
Frequency29.4
Structure
Chemical FormulaC19H25NO3
Molecular Mass315.1834
SMILESC=CC1CN2CCC1CC(OC(=O)C(CO)c1ccccc1)C2
InChI KeyHDAIJMWIJVRRMJ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classazepanes
Subclass azepanes
Direct Parent azepanes
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • amino acids and derivatives
  • azacyclic compounds
  • benzene and substituted derivatives
  • beta hydroxy acids and derivatives
  • carbonyl compounds
  • carboxylic acid esters
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • organopnictogen compounds
  • piperidines
  • primary alcohols
  • trialkylamines
    • Substituents
  • monocyclic benzene moiety
  • carbonyl group
  • amino acid or derivatives
  • carboxylic acid derivative
  • beta-hydroxy acid
  • organic oxide
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • primary alcohol
  • piperidine
  • tertiary amine
  • alcohol
  • azacycle
  • tertiary aliphatic amine
  • hydroxy acid
  • monocarboxylic acid or derivatives
  • azepane
  • organic oxygen compound
  • carboxylic acid ester
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • amine
  • organooxygen compound