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CHEBI:207482 - Strepthonium A

ChEBI IDCHEBI:207482
ChEBI NameStrepthonium A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC27H41ClNO2
Net Charge+1
Average Mass447.083
Monoisotopic Mass446.28203
SMILESCC(C)(C)CC(C)(C)c1ccc(OCCOCC[N+](C)(C)Cc2ccccc2)c(Cl)c1
InChIInChI=1S/C27H41ClNO2/c1-26(2,3)21-27(4,5)23-13-14-25(24(28)19-23)31-18-17-30-16-15-29(6,7)20-22-11-9-8-10-12-22/h8-14,19H,15-18,20-21H2,1-7H3/q+1
InChIKeyKLXZINUQFDHQFU-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Streptomycesspecies SBT345 (ncbitaxon:1580535) - PubMed (28287277)
ChEBI Ontology
Outgoing Relation(s)
Strepthonium A (CHEBI:207482) is a alkylbenzene (CHEBI:38976)
IUPAC Name 
benzyl-[2-[2-[2-chloro-4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy]ethyl]-dimethylazanium
Manual XrefsDatabases
62343764ChemSpider