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CHEBI:205948 - Bartoloside H

ChEBI IDCHEBI:205948
ChEBI NameBartoloside H
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SubmitterMetaboLights
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FormulaC38H66Cl2O6
Net Charge0
Average Mass689.846
Monoisotopic Mass688.42365
SMILESCCCCCCCCCC(Cl)CCCCCc1cc(O)c(CCCCCC(Cl)CCCCCC)c(O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)c1
InChIInChI=1S/C38H66Cl2O6/c1-3-5-7-9-10-11-16-22-31(40)23-17-12-14-20-29-26-33(41)32(25-19-13-18-24-30(39)21-15-8-6-4-2)35(27-29)46-38-37(44)36(43)34(42)28-45-38/h26-27,30-31,34,36-38,41-44H,3-25,28H2,1-2H3/t30?,31?,34-,36+,37-,38+/m1/s1
InChIKeySNZCABRUTZVTFC-KJIMCQFPSA-N
Species of MetaboliteComponentSourceComments
Synechocystis salina LEGE 06099 (ncbitaxon:945781) - PubMed (27680198)
ChEBI Ontology
Outgoing Relation(s)
Bartoloside H (CHEBI:205948) is a glycoside (CHEBI:24400)
IUPAC Name 
(2S,3R,4S,5R)-2-[2-(6-chlorododecyl)-5-(6-chloropentadecyl)-3-hydroxyphenoxy]oxane-3,4,5-triol
Manual XrefsDatabases
58197378ChemSpider