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CHEBI:220991 - Saricandin

ChEBI IDCHEBI:220991
ChEBI NameSaricandin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC44H54O16
Net Charge0
Average Mass838.900
Monoisotopic Mass838.34119
SMILESCCCCC/C=C/C=C/[C@H](O)C/C=C/C=C/C(=O)O[C@H]1[C@H](O[C@@H]2O[C@@H](COC(=O)/C=C/c3ccccc3)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](CO)O[C@]2(OCc3cc(O)cc(O)c32)[C@@H]1O
InChIInChI=1S/C44H54O16/c1-2-3-4-5-6-7-12-17-29(46)18-13-9-14-19-35(50)58-41-40(32(24-45)60-44(42(41)54)36-28(25-56-44)22-30(47)23-31(36)48)59-43-39(53)38(52)37(51)33(57-43)26-55-34(49)21-20-27-15-10-8-11-16-27/h6-17,19-23,29,32-33,37-43,45-48,51-54H,2-5,18,24-26H2,1H3/b7-6+,13-9+,17-12+,19-14+,21-20+/t29-,32+,33-,37+,38-,39+,40+,41-,42+,43-,44-/m0/s1
InChIKeyHBUHGNHKDUGKCO-SFMVNPMRSA-N
Species of MetaboliteComponentSourceComments
Fusarium (ncbitaxon:5506) - PubMed (8698645)
ChEBI Ontology
Outgoing Relation(s)
Saricandin (CHEBI:220991) is a lipopolysaccharide (CHEBI:16412)
IUPAC Name 
[(3S,3'R,4'R,5'R,6'R)-3',4,6-trihydroxy-6'-(hydroxymethyl)-5'-[(2S,3R,4S,5S,6S)-3,4,5-trihydroxy-6-[[(E)-3-phenylprop-2-enoyl]oxymethyl]oxan-2-yl]oxyspiro[1H-2-benzouran-3,2'-oxane]-4'-yl] (2E,4E,7R,8E,10E)-7-hydroxyhexadeca-2,4,8,10-tetraenoate
Manual XrefsDatabases
78442885ChemSpider