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CHEBI:205219 - Cosmosporaside E

ChEBI IDCHEBI:205219
ChEBI NameCosmosporaside E
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC39H68O16
Net Charge0
Average Mass792.957
Monoisotopic Mass792.45074
SMILESCCCCC/C=C\CCC(=O)O[C@@H]1[C@H](OC(CC(OC(C)=O)C(C)=CCO[C@@H]([C@H](O)[C@H](O)CO)[C@H](O)CO)C(C)(O)CCC=C(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O
InChIInChI=1S/C39H68O16/c1-7-8-9-10-11-12-13-16-32(46)55-37-35(49)34(48)30(23-42)53-38(37)54-31(39(6,50)18-14-15-24(2)3)20-29(52-26(5)43)25(4)17-19-51-36(28(45)22-41)33(47)27(44)21-40/h11-12,15,17,27-31,33-38,40-42,44-45,47-50H,7-10,13-14,16,18-23H2,1-6H3/b12-11-,25-17?/t27-,28-,29?,30-,31?,33-,34-,35+,36-,37+,38+,39?/m1/s1
InChIKeyBNBIPVQRFYGGRR-NBTUFECBSA-N
Species of MetaboliteComponentSourceComments
Pseudocosmospora joca (ncbitaxon:1298565) - PubMed (21682264)
ChEBI Ontology
Outgoing Relation(s)
Cosmosporaside E (CHEBI:205219) is a lipopolysaccharide (CHEBI:16412)
IUPAC Name 
[(2S,3S,4S,5S,6R)-2-[4-acetyloxy-7-hydroxy-3,7,11-trimethyl-1-[(2R,3R,4R,5R)-1,2,4,5,6-pentahydroxyhexan-3-yl]oxydodeca-2,10-dien-6-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] (Z)-dec-4-enoate
Manual XrefsDatabases
78445591ChemSpider