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CHEBI:221443 - Bartoloside A

ChEBI IDCHEBI:221443
ChEBI NameBartoloside A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC36H62Cl2O6
Net Charge0
Average Mass661.792
Monoisotopic Mass660.39235
SMILESCCCCCCCC(Cl)CCCCCc1cc(O)c(CCCCCC(Cl)CCCCCC)c(O[C@H]2OC[C@@H](O)[C@H](O)[C@H]2O)c1
InChIInChI=1S/C36H62Cl2O6/c1-3-5-7-9-14-20-29(38)21-15-10-12-18-27-24-31(39)30(23-17-11-16-22-28(37)19-13-8-6-4-2)33(25-27)44-36-35(42)34(41)32(40)26-43-36/h24-25,28-29,32,34-36,39-42H,3-23,26H2,1-2H3/t28?,29?,32-,34+,35-,36-/m1/s1
InChIKeyXYNWKOXRMZVNTQ-UJGBXLCDSA-N
Species of MetaboliteComponentSourceComments
Nodosilinea (ncbitaxon:1120752) - PubMed (26235728)
ChEBI Ontology
Outgoing Relation(s)
Bartoloside A (CHEBI:221443) is a glycoside (CHEBI:24400)
IUPAC Name 
(2R,3R,4S,5R)-2-[2-(6-chlorododecyl)-5-(6-chlorotridecyl)-3-hydroxyphenoxy]oxane-3,4,5-triol
Manual XrefsDatabases
40256552ChemSpider