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CHEBI:205959 - Bartoloside J

ChEBI IDCHEBI:205959
ChEBI NameBartoloside J
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SubmitterMetaboLights
DownloadsMolfile
FormulaC34H59ClO6
Net Charge0
Average Mass599.293
Monoisotopic Mass598.40002
SMILESCCCCCCCCCCCc1cc(O)c(CCCCCC(Cl)CCCCCC)c(O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)c1
InChIInChI=1S/C34H59ClO6/c1-3-5-7-9-10-11-12-13-15-19-26-23-29(36)28(22-18-14-17-21-27(35)20-16-8-6-4-2)31(24-26)41-34-33(39)32(38)30(37)25-40-34/h23-24,27,30,32-34,36-39H,3-22,25H2,1-2H3/t27?,30-,32+,33-,34+/m1/s1
InChIKeyOTVIJJKBILNRLT-WPQQXQCVSA-N
Species of MetaboliteComponentSourceComments
Synechocystis salina LEGE 06099 (ncbitaxon:945781) - PubMed (27680198)
ChEBI Ontology
Outgoing Relation(s)
Bartoloside J (CHEBI:205959) is a glycoside (CHEBI:24400)
IUPAC Name 
(2S,3R,4S,5R)-2-[2-(6-chlorododecyl)-3-hydroxy-5-undecylphenoxy]oxane-3,4,5-triol
Manual XrefsDatabases
58197380ChemSpider