CHEBI:205964 - Bartoloside K

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Bartoloside K
ChEBI ID CHEBI:205964
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C35H60Cl2O6
Net Charge 0
Average Mass 647.760
Monoisotopic Mass 646.37670
InChI InChI=1S/C35H60Cl2O6/c1-3-5-7-12-18-27(36)20-14-9-11-17-26-23-30(38)29(22-16-10-15-21-28(37)19-13-8-6-4-2)32(24-26)43-35-34(41)33(40)31(39)25-42-35/h23-24,27-28,31,33-35,38-41H,3-22,25H2,1-2H3/t27?,28?,31-,33+,34-,35+/m1/s1
InChIKey LJLORIMRLLORHA-LNSHLUEESA-N
SMILES ClC(CCCCCC1=C(O[C@@H]2OC[C@@H](O)[C@@H]([C@H]2O)O)C=C(CCCCCC(Cl)CCCCCC)C=C1O)CCCCCC
Metabolite of Species Details
Synechocystis salina LEGE 06099 (NCBI:txid945781) See: PubMed
ChEBI Ontology
Outgoing Bartoloside K (CHEBI:205964) is a glycoside (CHEBI:24400)
IUPAC Name
(2S,3R,4S,5R)-2-[2,5-bis(6-chlorododecyl)-3-hydroxyphenoxy]oxane-3,4,5-triol
Manual Xref Database
58197381 ChemSpider
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