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CHEBI:221463 - Bartoloside D

ChEBI IDCHEBI:221463
ChEBI NameBartoloside D
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FormulaC44H75Cl3O10
Net Charge0
Average Mass870.433
Monoisotopic Mass868.44258
SMILESCCCCCCCCCC(Cl)CCCCCc1c(Cl)c(O[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)c(CCCCCC(Cl)CCCCCC)c(O)c1[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C44H75Cl3O10/c1-4-6-8-10-11-12-16-22-30(46)23-17-13-19-25-31-34(43-40(53)38(51)33(48)27-55-43)37(50)32(26-20-14-18-24-29(45)21-15-9-7-5-2)42(35(31)47)57-44-41(54)39(52)36(49)28(3)56-44/h28-30,33,36,38-41,43-44,48-54H,4-27H2,1-3H3/t28-,29?,30?,33+,36-,38-,39+,40+,41+,43-,44-/m0/s1
InChIKeyBRMPFHRPTFWBOB-LLONOIEDSA-N
Species of MetaboliteComponentSourceComments
Nodosilinea (ncbitaxon:1120752) - PubMed (26235728)
ChEBI Ontology
Outgoing Relation(s)
Bartoloside D (CHEBI:221463) is a glycoside (CHEBI:24400)
IUPAC Name 
(2S,3R,4R,5R,6S)-2-[2-chloro-6-(6-chlorododecyl)-3-(6-chloropentadecyl)-5-hydroxy-4-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]phenoxy]-6-methyloxane-3,4,5-triol
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