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CHEBI:227392 - Stemphol B

ChEBI IDCHEBI:227392
ChEBI NameStemphol B
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SubmitterMetaboLights
DownloadsMolfile
FormulaC17H26O6S
Net Charge0
Average Mass358.456
Monoisotopic Mass358.14501
SMILESCCCCCc1cc(OC(C)=O)c(CCCC)c(OS(=O)(=O)O)c1
InChIInChI=1S/C17H26O6S/c1-4-6-8-9-14-11-16(22-13(3)18)15(10-7-5-2)17(12-14)23-24(19,20)21/h11-12H,4-10H2,1-3H3,(H,19,20,21)
InChIKeyCSYMINFUEUUSKW-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Stemphyliumspecies 33231 (ncbitaxon:1418481) - PubMed (25712398)
ChEBI Ontology
Outgoing Relation(s)
Stemphol B (CHEBI:227392) is a aryl sulfate (CHEBI:37919)
IUPAC Name 
(2-butyl-5-pentyl-3-sulooxyphenyl) acetate