input word = C00006802

Metabolite InformationStructural formula
Name Cyanidin 3-(6''-p-coumarylsambubioside)
Formula C35H35O17
Mw 727.1874247
CAS RN 162972-64-7
C_ID C00006802 ,
InChIKey KMIJRKZNTFVLAI-UHFFFAOYNA-O
InChICode InChI=1S/C35H34O17/c36-17-5-1-15(2-6-17)3-8-27(42)47-14-26-29(44)30(45)33(52-34-31(46)28(43)23(41)13-48-34)35(51-26)50-25-12-19-21(39)10-18(37)11-24(19)49-32(25)16-4-7-20(38)22(40)9-16/h1-12,23,26,28-31,33-35,41,43-46H,13-14H2,(H4-,36,37,38,39,40,42)/p+1/t23-,26-,28-,29+,30+,31+,33+,34+,35+/m0/s1
SMILES O=C(/C=C/c1ccc(O)cc1)OCC1OC(Oc2cc3c(O)cc(O)cc3[o+]c2-c2ccc(O)c(O)c2)C(OC2OCC(O)C(O)C2O)C(O)C1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAdoxaceaeSambucus canadensis Ref.
PlantaeBegoniaceaeBegonia spp. Ref.
PlantaeCruciferaeMatthiola incana Ref.
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OrganismSambucus canadensis
ReferenceHarborne, The Handbook of Natural Flavonoids, 2, (1999), 1,Anthocyanins

Teusch,Phytochem.,26,(1987),991

Chirol,Phytochem.,40,(1995),275