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CHEBI:183906 - Butachlor ESA sodium salt

ChEBI IDCHEBI:183906
ChEBI NameButachlor ESA sodium salt
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SubmitterMetaboLights
DownloadsMolfile
FormulaC17H26NO5S.Na
Net Charge0
Average Mass379.454
Monoisotopic Mass379.14294
SMILESCCCCOCN(C(=O)CS(=O)(=O)[O-])c1c(CC)cccc1CC.[Na+]
InChIInChI=1S/C17H27NO5S.Na/c1-4-7-11-23-13-18(16(19)12-24(20,21)22)17-14(5-2)9-8-10-15(17)6-3;/h8-10H,4-7,11-13H2,1-3H3,(H,20,21,22);/q;+1/p-1
InChIKeyKNWWTVNLPSYRSP-UHFFFAOYSA-M
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) small intestine (BTO:0000651) MetaboLights (MTBLS3486) Strain: C57BL/6 Mouse [THESAURUS.OWL#C14424]
Nippostrongylus brasiliensis (ncbitaxon:27835) Whole Organism (NCIT:C13413) MetaboLights (MTBLS3486)
ChEBI Ontology
Outgoing Relation(s)
Butachlor ESA sodium salt (CHEBI:183906) is a anilide (CHEBI:13248)
IUPAC Name 
sodium;2-[N-(butoxymethyl)-2,6-diethylanilino]-2-oxoethanesulonate
Manual XrefsDatabases
49071604ChemSpider