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CHEBI:178041 - Cyanidin-3-feruloyl sophoroside-5-glucoside

Default Structure
ChEBI IDCHEBI:178041
ChEBI NameCyanidin-3-feruloyl sophoroside-5-glucoside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC43H49O24
Net Charge+1
Average Mass949.841
Monoisotopic Mass949.26083
SMILESCOc1cc(/C=C/C(=O)OCC2O[C@@H](Oc3cc4c(O[C@@H]5OC(CO)[C@@H](O)[C@H](O)C5O)cc(O)cc4[o+]c3-c3ccc(O)c(O)c3)[C@H](O[C@@H]3OC(CO)[C@@H](O)[C@H](O)C3O)C(O)[C@@H]2O)ccc1O
InChIInChI=1S/C43H48O24/c1-59-25-8-16(2-5-21(25)48)3-7-30(50)60-15-29-33(53)36(56)40(67-42-38(58)35(55)32(52)28(14-45)65-42)43(66-29)63-26-12-19-23(61-39(26)17-4-6-20(47)22(49)9-17)10-18(46)11-24(19)62-41-37(57)34(54)31(51)27(13-44)64-41/h2-12,27-29,31-38,40-45,51-58H,13-15H2,1H3,(H3-,46,47,48,49,50)/p+1/t27?,28?,29?,31-,32-,33-,34+,35+,36?,37?,38?,40-,41-,42+,43-/m1/s1
InChIKeyUOUACTHXODLWSX-NYRBKVJDSA-O
Species of MetaboliteComponentSourceComments
Ipomoea batatas (ncbitaxon:4120) Root (BTO:0001188) MetaboLights (MTBLS2956)
ChEBI Ontology
Outgoing Relation(s)
Cyanidin-3-feruloyl sophoroside-5-glucoside (CHEBI:178041) is a anthocyanidin glycoside (CHEBI:71583)
IUPAC Name 
[(3S,5R,6S)-6-[2-(3,4-dihydroxyphenyl)-7-hydroxy-5-[(2S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromenylium-3-yl]oxy-3,4-dihydroxy-5-[(2S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
Manual XrefsDatabases
24842224ChemSpider
LMPK12010177LIPID MAPS