Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:47:06 UTC
Update Date2025-03-25 00:49:04 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02171830
Frequency0.5
Structure
Chemical FormulaC15H23NO
Molecular Mass233.178
SMILESCN(C)CC(c1cccc(O)c1)C1CCCC1
InChI KeyXKLNKVGHCMTADC-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classphenols
Subclass 1-hydroxy-2-unsubstituted benzenoids
Direct Parent 1-hydroxy-2-unsubstituted benzenoids
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • 1-hydroxy-4-unsubstituted benzenoids
  • benzene and substituted derivatives
  • hydrocarbon derivatives
  • organooxygen compounds
  • organopnictogen compounds
  • trialkylamines
  • Substituents
  • monocyclic benzene moiety
  • tertiary aliphatic amine
  • 1-hydroxy-2-unsubstituted benzenoid
  • 1-hydroxy-4-unsubstituted benzenoid
  • aromatic homomonocyclic compound
  • organic oxygen compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • amine
  • tertiary amine
  • organooxygen compound