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CHEBI:205942 - Bartoloside G

ChEBI IDCHEBI:205942
ChEBI NameBartoloside G
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SubmitterMetaboLights
DownloadsMolfile
FormulaC36H63ClO6
Net Charge0
Average Mass627.347
Monoisotopic Mass626.43132
SMILESCCCCCCCCCCCCCc1cc(O)c(CCCCCC(Cl)CCCCCC)c(O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)c1
InChIInChI=1S/C36H63ClO6/c1-3-5-7-9-10-11-12-13-14-15-17-21-28-25-31(38)30(24-20-16-19-23-29(37)22-18-8-6-4-2)33(26-28)43-36-35(41)34(40)32(39)27-42-36/h25-26,29,32,34-36,38-41H,3-24,27H2,1-2H3/t29?,32-,34+,35-,36+/m1/s1
InChIKeyLZMVCENJBDTSPS-VFHZWBAFSA-N
Species of MetaboliteComponentSourceComments
Synechocystis salina LEGE 06099 (ncbitaxon:945781) - PubMed (27680198)
ChEBI Ontology
Outgoing Relation(s)
Bartoloside G (CHEBI:205942) is a glycoside (CHEBI:24400)
IUPAC Name 
(2S,3R,4S,5R)-2-[2-(6-chlorododecyl)-3-hydroxy-5-tridecylphenoxy]oxane-3,4,5-triol
Manual XrefsDatabases
58197377ChemSpider