Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:57:43 UTC
Update Date2025-03-25 00:52:47 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02195996
Frequency0.5
Structure
Chemical FormulaC9H13NO
Molecular Mass151.0997
SMILESCC1(C)CC2=C(C1)C(=O)CN2
InChI KeyGHMJZFBKZWUNKV-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpyrrolines
Subclass pyrrolines
Direct Parent pyrrolines
Geometric Descriptor aliphatic heteropolycyclic compounds
Alternative Parents
  • azacyclic compounds
  • dialkylamines
  • hydrocarbon derivatives
  • ketones
  • organic oxides
  • organopnictogen compounds
  • vinylogous amides
  • Substituents
  • vinylogous amide
  • secondary aliphatic amine
  • carbonyl group
  • azacycle
  • secondary amine
  • ketone
  • aliphatic heteropolycyclic compound
  • organic oxide
  • organic oxygen compound
  • pyrroline
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organooxygen compound
  • amine