input word = C00006793

Metabolite InformationStructural formula
Name Cyanidin 3-(6''-acetylglucoside)
Formula C23H23O12
Mw 491.1189512
CAS RN 133080-31-6
C_ID C00006793 ,
InChIKey HBXXDBKJLPLXPR-LANRGVTQNA-O
InChICode InChI=1S/C23H22O12/c1-9(24)32-8-18-19(29)20(30)21(31)23(35-18)34-17-7-12-14(27)5-11(25)6-16(12)33-22(17)10-2-3-13(26)15(28)4-10/h2-7,18-21,23,29-31H,8H2,1H3,(H3-,25,26,27,28)/p+1/t18-,19-,20+,21-,23-/m1/s1
SMILES c1(cc(c2c(c1)[o+]c(c(c2)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)COC(=O)C)O)O)O)c1ccc(c(c1)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAlliaceaeAllium schoenoprasum Ref.
PlantaeFabaceaeAmphithalea spp. Ref.
PlantaeFabaceaeCoelidium spp. Ref.
PlantaeFabaceaeHypocalyptus spp. Ref.
PlantaeFabaceaeLiparia spp. Ref.
PlantaeFabaceaeVirgilia divaricata Ref.
PlantaeFabaceaeVirgilia oroboides Ref.
PlantaePoaceaePanicum melinis Ref.
PlantaePoaceaePennisetum setaceum Ref.
PlantaeVitaceaeVitis vinifera Ref.
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OrganismHypocalyptus spp.
ReferenceVan Wyk, Biochem.Syst.Ecol.,23,(1995),295