Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-20 23:51:00 UTC
Update Date2025-03-21 18:02:53 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00040909
Frequency84.2
Structure
Chemical FormulaC11H15NO
Molecular Mass177.1154
SMILESCOc1ccc(C2CCCN2)cc1
InChI KeyHCBLZPKEGFYHDN-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpyrrolidines
Subclass phenylpyrrolidines
Direct Parent phenylpyrrolidines
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • alkyl aryl ethers
  • anisoles
  • azacyclic compounds
  • dialkylamines
  • hydrocarbon derivatives
  • methoxybenzenes
  • organopnictogen compounds
  • phenoxy compounds
  • pyrroles
  • Substituents
  • phenol ether
  • secondary aliphatic amine
  • monocyclic benzene moiety
  • ether
  • aromatic heteromonocyclic compound
  • azacycle
  • 2-phenylpyrrolidine
  • alkyl aryl ether
  • secondary amine
  • methoxybenzene
  • organic oxygen compound
  • anisole
  • pyrrole
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • phenoxy compound
  • organooxygen compound
  • amine