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CHEBI:192421 - Cyanidin 3-(6''-(E)-caffeylsambubioside)

ChEBI IDCHEBI:192421
ChEBI NameCyanidin 3-(6''-(E)-caffeylsambubioside)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC35H35O18
Net Charge+1
Average Mass743.647
Monoisotopic Mass743.18179
SMILESO=C(/C=C/c1ccc(O)c(O)c1)OCC1O[C@@H](Oc2cc3c(O)cc(O)cc3[o+]c2-c2ccc(O)c(O)c2)C(O[C@@H]2OC[C@@H](O)C(O)[C@H]2O)C(O)[C@@H]1O
InChIInChI=1S/C35H34O18/c36-16-9-20(39)17-11-25(32(50-24(17)10-16)15-3-5-19(38)22(41)8-15)51-35-33(53-34-31(47)28(44)23(42)12-49-34)30(46)29(45)26(52-35)13-48-27(43)6-2-14-1-4-18(37)21(40)7-14/h1-11,23,26,28-31,33-35,42,44-47H,12-13H2,(H5-,36,37,38,39,40,41,43)/p+1/t23-,26?,28?,29-,30?,31-,33?,34+,35-/m1/s1
InChIKeyXGQPXBKBCOHIQI-XSXUGFHCSA-O
Species of MetaboliteComponentSourceComments
Pinus radiata (ncbitaxon:3347) leaf (BTO:0000713) MetaboLights (MTBLS4567)
ChEBI Ontology
Outgoing Relation(s)
Cyanidin 3-(6''-(E)-caffeylsambubioside) (CHEBI:192421) is a flavonoids (CHEBI:72544)
Cyanidin 3-(6''-(E)-caffeylsambubioside) (CHEBI:192421) is a glycoside (CHEBI:24400)
IUPAC Name 
[(3S,6S)-6-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromenylium-3-yl]oxy-3,4-dihydroxy-5-[(2S,3R,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]methyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
Manual XrefsDatabases
LMPK12010142LIPID MAPS
24842189ChemSpider