Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:41:09 UTC
Update Date2025-03-25 00:46:56 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02158332
Frequency0.5
Structure
Chemical FormulaC10H13NO
Molecular Mass163.0997
SMILESOCC1NCC1c1ccccc1
InChI KeyNBYPMHDAXLNVQI-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classazetidines
Subclass phenylazetidines
Direct Parent phenylazetidines
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • azacyclic compounds
  • benzene and substituted derivatives
  • dialkylamines
  • hydrocarbon derivatives
  • organopnictogen compounds
  • primary alcohols
  • Substituents
  • alcohol
  • secondary aliphatic amine
  • monocyclic benzene moiety
  • aromatic heteromonocyclic compound
  • azacycle
  • 3-phenylazetidine
  • secondary amine
  • organic oxygen compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • primary alcohol
  • organooxygen compound
  • amine