Hmdb loader

Showing information for DMID02167673

Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:45:17 UTC
Update Date2025-03-25 00:48:21 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02167673
Frequency0.5
Structure
Chemical FormulaC8H15NO4
Molecular Mass189.1001
SMILESCC(C)CCOC(=O)CC[N+](=O)[O-]
InChI KeyKXMRVZGUYVSIIB-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic 1,3-dipolar compounds
Classallyl-type 1,3-dipolar organic compounds
Subclass organic nitro compounds
Direct Parent c-nitro compounds
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • carbonyl compounds
  • carboxylic acid esters
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • organic oxoanionic compounds
  • organic oxoazanium compounds
  • organonitrogen compounds
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
    • Substituents
  • aliphatic acyclic compound
  • carbonyl group
  • carboxylic acid derivative
  • propargyl-type 1,3-dipolar organic compound
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • c-nitro compound
  • carboxylic acid ester
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organic oxoazanium
  • organooxygen compound
  • organic hyponitrite