CHEBI:183906 - Butachlor ESA sodium salt

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ChEBI Name Butachlor ESA sodium salt
ChEBI ID CHEBI:183906
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C17H26NO5S.Na
Net Charge 0
Average Mass 379.450
Monoisotopic Mass 379.14294
InChI InChI=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
InChIKey KNWWTVNLPSYRSP-UHFFFAOYSA-M
SMILES S([O-])(=O)(=O)CC(=O)N(C1=C(CC)C=CC=C1CC)COCCCC.[Na+]
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Found in small intestine (BTO:0000651). of strain C57BL/6 Mouse [THESAURUS.OWL#C14424] See: MetaboLights Study
Nippostrongylus brasiliensis (NCBI:txid27835) Found in Whole Organism (THESAURUS.OWL#C13413). See: MetaboLights Study
ChEBI Ontology
Outgoing Butachlor ESA sodium salt (CHEBI:183906) is a anilide (CHEBI:13248)
IUPAC Name
sodium;2-[N-(butoxymethyl)-2,6-diethylanilino]-2-oxoethanesulonate
Manual Xref Database
49071604 ChemSpider
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