input word = C00006673

Metabolite InformationStructural formula
Name Cyanidin 3-sambubioside-5-glucoside
Formula C32H39O20
Mw 743.20346869
CAS RN 53925-33-0
C_ID C00006673 ,
InChIKey OLBLWNPOURNBCY-QUUAACIINA-O
InChICode InChI=1S/C32H38O20/c33-7-19-22(40)24(42)27(45)31(50-19)48-17-5-11(35)4-16-12(17)6-18(28(47-16)10-1-2-13(36)14(37)3-10)49-32-29(25(43)23(41)20(8-34)51-32)52-30-26(44)21(39)15(38)9-46-30/h1-6,15,19-27,29-34,38-45H,7-9H2,(H2-,35,36,37)/p+1/t15-,19+,20-,21-,22+,23+,24-,25-,26-,27+,29+,30+,31+,32+/m0/s1
SMILES c1(cc(c2c(c1)[o+]c(c(c2)O[C@H]1[C@@H]([C@H]([C@@H]([C@@H](O1)CO)O)O)O[C@@H]1[C@H]([C@H]([C@H](CO1)O)O)O)c1ccc(c(c1)O)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAdoxaceaeSambucus canadensis Ref.
PlantaeAdoxaceaeSambucus ebulus Ref.
PlantaeAdoxaceaeSambucus nigra Ref.
PlantaeCruciferaeArabidopsis thaliana Ref.
PlantaeCruciferaeMatthiola incana Ref.
PlantaeEricaceaeVaccinium padifolium Ref.
PlantaeFabaceaePisum sativum Ref.
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