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CHEBI:205930 - Bartoloside E

ChEBI IDCHEBI:205930
ChEBI NameBartoloside E
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DownloadsMolfile
FormulaC34H58Cl2O6
Net Charge0
Average Mass633.738
Monoisotopic Mass632.36104
SMILESCCCCCCC(Cl)CCCCCc1c(O)cc(CCCCCCC(Cl)CCCC)cc1O[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C34H58Cl2O6/c1-3-5-7-12-18-27(36)20-14-10-15-21-28-29(37)22-25(16-11-8-9-13-19-26(35)17-6-4-2)23-31(28)42-34-33(40)32(39)30(38)24-41-34/h22-23,26-27,30,32-34,37-40H,3-21,24H2,1-2H3/t26?,27?,30-,32+,33-,34+/m1/s1
InChIKeyNYUHMGANIQYFOK-ANHKVXBOSA-N
Species of MetaboliteComponentSourceComments
Synechocystis salina LEGE 06099 (ncbitaxon:945781) - PubMed (27680198)
ChEBI Ontology
Outgoing Relation(s)
Bartoloside E (CHEBI:205930) is a glycoside (CHEBI:24400)
IUPAC Name 
(2S,3R,4S,5R)-2-[2-(6-chlorododecyl)-5-(7-chloroundecyl)-3-hydroxyphenoxy]oxane-3,4,5-triol
Manual XrefsDatabases
58197375ChemSpider