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CHEBI:205964 - Bartoloside K

ChEBI IDCHEBI:205964
ChEBI NameBartoloside K
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SubmitterMetaboLights
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FormulaC35H60Cl2O6
Net Charge0
Average Mass647.765
Monoisotopic Mass646.37669
SMILESCCCCCCC(Cl)CCCCCc1cc(O)c(CCCCCC(Cl)CCCCCC)c(O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)c1
InChIInChI=1S/C35H60Cl2O6/c1-3-5-7-12-18-27(36)20-14-9-11-17-26-23-30(38)29(22-16-10-15-21-28(37)19-13-8-6-4-2)32(24-26)43-35-34(41)33(40)31(39)25-42-35/h23-24,27-28,31,33-35,38-41H,3-22,25H2,1-2H3/t27?,28?,31-,33+,34-,35+/m1/s1
InChIKeyLJLORIMRLLORHA-LNSHLUEESA-N
Species of MetaboliteComponentSourceComments
Synechocystis salina LEGE 06099 (ncbitaxon:945781) - PubMed (27680198)
ChEBI Ontology
Outgoing Relation(s)
Bartoloside K (CHEBI:205964) is a glycoside (CHEBI:24400)
IUPAC Name 
(2S,3R,4S,5R)-2-[2,5-bis(6-chlorododecyl)-3-hydroxyphenoxy]oxane-3,4,5-triol
Manual XrefsDatabases
58197381ChemSpider