Hmdb loader

Showing information for DMID00112943

Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:21:05 UTC
Update Date2025-03-21 18:36:54 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00112943
Frequency23.5
Structure
Chemical FormulaC12H20N4O3
Molecular Mass268.1535
SMILESCNC(=C[N+](=O)[O-])NCCc1ccc(CN(C)C)o1
InChI KeyXEQUJVRBVLKZDE-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic nitrogen compounds
Classorganonitrogen compounds
Subclass amines
Direct Parent aralkylamines
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • c-nitro compounds
  • dialkylamines
  • furans
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • organic oxides
  • organic oxoanionic compounds
  • organic oxoazanium compounds
  • organooxygen compounds
  • organopnictogen compounds
  • oxacyclic compounds
  • propargyl-type 1,3-dipolar organic compounds
  • trialkylamines
    • Substituents
  • furan
  • aromatic heteromonocyclic compound
  • allyl-type 1,3-dipolar organic compound
  • aralkylamine
  • organic nitro compound
  • propargyl-type 1,3-dipolar organic compound
  • organic oxide
  • c-nitro compound
  • organopnictogen compound
  • organic oxoazanium
  • tertiary amine
  • organoheterocyclic compound
  • secondary aliphatic amine
  • heteroaromatic compound
  • tertiary aliphatic amine
  • organic 1,3-dipolar compound
  • secondary amine
  • oxacycle
  • organic oxygen compound
  • hydrocarbon derivative
  • organooxygen compound
  • organic hyponitrite