RefMet Compound Details

Created with Raphaƫl 2.1.0NOOHClCl
RefMet ID, RefMet name, exact mass and formula
RefMet IDRM0019911
RefMet nameClopyralid
Systematic name3,6-dichloropyridine-2-carboxylic acid
SynonymsPubChem Synonyms
Exact mass190.954085 (neutral)
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View other RefMet entries with this exact (neutral) mass:   +/- 0.05 amu   +/- 0.1 amu   +/- 0.2 amu   +/- 0.5 amu
FormulaC6H3Cl2NO2View other entries in RefMet with this formula
Molecular descriptors
Molfile62526 (Download molfile/View MW Metabolite Database details)
InChIInChI=1S/C6H3Cl2NO2/c7-3-1-2-4(8)9-5(3)6(10)11/h1-2H,(H,10,11)
InChIKeyHUBANNPOLNYSAD-UHFFFAOYSA-NView other enantiomers/diastereomers of this metabolite in RefMet
SMILESc1cc(Cl)nc(c1Cl)C(=O)O
Run Tanimoto similarity search (with similarity coefficient >=0.6)
Chemical/Biochemical Classification
Super ClassAlkaloids
Main ClassPyridine alkaloids
Sub ClassNicotinic acid alkaloids
Distribution of Clopyralid in NMDR studies
SpeciesPlot Species distribution
Sample sourcePlot Sample source(tissue) distribution
StudiesNMDR Studies reporting Clopyralid
External Links
Pubchem CID15553
ChEBI ID62961
KEGG IDC18779
HMDB IDHMDB0244780
EPA CompToxDTXCID309221
Spectral data for Clopyralid standards
MassBank(EU)View MS spectra
Structural annotation level
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)
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