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CHEBI:143043 - Peonidin 3-(4-sinapoylgentiobioside)

ChEBI IDCHEBI:143043
ChEBI NamePeonidin 3-(4-sinapoylgentiobioside)
Stars
Submittermwilliams
DownloadsMolfile
FormulaC39H43O20
Net Charge+1
Average Mass831.753
Monoisotopic Mass831.23422
SMILESCOc1cc(-c2[o+]c3cc(O)cc(O)c3cc2OC2OC(COC3OC(CO)C(O)C(O)C3O)C(OC(=O)/C=C/c3cc(OC)c(O)c(OC)c3)C(O)C2O)ccc1O
InChIInChI=1S/C39H42O20/c1-51-23-10-17(5-6-20(23)42)36-26(13-19-21(43)11-18(41)12-22(19)55-36)56-39-35(50)33(48)37(28(58-39)15-54-38-34(49)32(47)31(46)27(14-40)57-38)59-29(44)7-4-16-8-24(52-2)30(45)25(9-16)53-3/h4-13,27-28,31-35,37-40,46-50H,14-15H2,1-3H3,(H3-,41,42,43,44,45)/p+1
InChIKeyGHSMFVLHRTWFOO-UHFFFAOYSA-O
Species of MetaboliteComponentSourceComments
Solanum lycopersicum (ncbitaxon:4081) leaf (BTO:0000713) MetaboLights (MTBLS618) Strain: Solanum lycopersicum cv. Santa Cruz Kada
ChEBI Ontology
Outgoing Relation(s)
Peonidin 3-(4-sinapoylgentiobioside) (CHEBI:143043) is a flavonoids (CHEBI:72544)
Peonidin 3-(4-sinapoylgentiobioside) (CHEBI:143043) is a glycoside (CHEBI:24400)
Citations