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CHEBI:191557 - Cyanidin 3-(6''-(E)-p-coumarylsambubioside) 5-glucoside

ChEBI IDCHEBI:191557
ChEBI NameCyanidin 3-(6''-(E)-p-coumarylsambubioside) 5-glucoside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC41H45O22
Net Charge+1
Average Mass889.789
Monoisotopic Mass889.23970
SMILESO=C(/C=C/c1ccc(O)cc1)OCC1OC(Oc2cc3c(OC4OC(CO)C(O)C(O)C4O)cc(O)cc3[o+]c2-c2ccc(O)c(O)c2)C(OC2OCC(O)C(O)C2O)C(O)C1O
InChIInChI=1S/C41H44O22/c42-13-27-31(50)33(52)36(55)40(61-27)59-25-11-19(44)10-24-20(25)12-26(37(58-24)17-4-7-21(45)22(46)9-17)60-41-38(63-39-35(54)30(49)23(47)14-57-39)34(53)32(51)28(62-41)15-56-29(48)8-3-16-1-5-18(43)6-2-16/h1-12,23,27-28,30-36,38-42,47,49-55H,13-15H2,(H3-,43,44,45,46,48)/p+1
InChIKeyJSYDBTWJIIAZPU-UHFFFAOYSA-O
Species of MetaboliteComponentSourceComments
Solanum tuberosum (ncbitaxon:4113) leaf (BTO:0000713) MetaboLights (MTBLS4365)
ChEBI Ontology
Outgoing Relation(s)
Cyanidin 3-(6''-(E)-p-coumarylsambubioside) 5-glucoside (CHEBI:191557) is a flavonoid (CHEBI:47916)
Cyanidin 3-(6''-(E)-p-coumarylsambubioside) 5-glucoside (CHEBI:191557) is a glycoside (CHEBI:24400)
IUPAC Name 
[6-[2-(3,4-dihydroxyphenyl)-7-hydroxy-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromenylium-3-yl]oxy-3,4-dihydroxy-5-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate
Manual XrefsDatabases
HMDB0041262HMDB