CHEBI:205936 - Bartoloside F

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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 F
ChEBI ID CHEBI:205936
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C37H64Cl2O6
Net Charge 0
Average Mass 675.810
Monoisotopic Mass 674.40800
InChI InChI=1S/C37H64Cl2O6/c1-3-5-7-9-10-15-21-30(39)22-16-11-13-19-28-25-32(40)31(24-18-12-17-23-29(38)20-14-8-6-4-2)34(26-28)45-37-36(43)35(42)33(41)27-44-37/h25-26,29-30,33,35-37,40-43H,3-24,27H2,1-2H3/t29?,30?,33-,35+,36-,37+/m1/s1
InChIKey IWIZOMWAHIZTOM-ZQWJTRQNSA-N
SMILES ClC(CCCCCC1=CC(O[C@@H]2OC[C@@H](O)[C@@H]([C@H]2O)O)=C(CCCCCC(Cl)CCCCCC)C(=C1)O)CCCCCCCC
Metabolite of Species Details
Synechocystis salina LEGE 06099 (NCBI:txid945781) See: PubMed
ChEBI Ontology
Outgoing Bartoloside F (CHEBI:205936) is a glycoside (CHEBI:24400)
IUPAC Name
(2S,3R,4S,5R)-2-[2-(6-chlorododecyl)-5-(6-chlorotetradecyl)-3-hydroxyphenoxy]oxane-3,4,5-triol
Manual Xref Database
58197376 ChemSpider
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