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CHEBI:198730 - Corynecandin

ChEBI IDCHEBI:198730
ChEBI NameCorynecandin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC41H60O16
Net Charge0
Average Mass808.915
Monoisotopic Mass808.38814
SMILESCCCCC/C=C\C=C\C(=O)OC[C@H]1O[C@@H](O[C@H]2[C@H](OC(=O)/C(C)=C/C=C/CC(O)C(C)CC)[C@@H](O)C(c3c(O)cc(O)cc3CO)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@H]1O
InChIInChI=1S/C41H60O16/c1-5-7-8-9-10-11-12-17-31(47)53-22-30-33(48)34(49)35(50)41(55-30)57-37-29(21-43)54-38(32-25(20-42)18-26(44)19-28(32)46)36(51)39(37)56-40(52)24(4)15-13-14-16-27(45)23(3)6-2/h10-15,17-19,23,27,29-30,33-39,41-46,48-51H,5-9,16,20-22H2,1-4H3/b11-10-,14-13+,17-12+,24-15+/t23?,27?,29-,30-,33+,34+,35-,36+,37-,38?,39-,41+/m1/s1
InChIKeyPKHFEGZZONAJBZ-OEVUFUAVSA-N
Species of MetaboliteComponentSourceComments
Coryneum modonium (ncbitaxon:2494356) - PubMed (9402997)
ChEBI Ontology
Outgoing Relation(s)
Corynecandin (CHEBI:198730) is a lipopolysaccharide (CHEBI:16412)
IUPAC Name 
[(3S,4R,5R,6R)-5-[(2S,3R,4S,5R,6R)-6-[[(2E,4Z)-deca-2,4-dienoyl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-2-[2,4-dihydroxy-6-(hydroxymethyl)phenyl]-3-hydroxy-6-(hydroxymethyl)oxan-4-yl] (2E,4E)-7-hydroxy-2,8-dimethyldeca-2,4-dienoate
Manual XrefsDatabases
20147747ChemSpider