input word = C00006859

Metabolite InformationStructural formula
Name Peonidin 3-(6''-acetylglucoside)
Formula C24H25O12
Mw 505.13460127
CAS RN 129016-22-4,122796-43-4,114017-67-3
C_ID C00006859 ,
InChIKey MBSKDCPWFSMEFD-FJYWOMRNNA-O
InChICode InChI=1S/C24H24O12/c1-10(25)33-9-19-20(29)21(30)22(31)24(36-19)35-18-8-13-15(28)6-12(26)7-16(13)34-23(18)11-3-4-14(27)17(5-11)32-2/h3-8,19-22,24,29-31H,9H2,1-2H3,(H2-,26,27,28)/p+1/t19-,20+,21-,22-,24-/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)OC)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeVirgilia divaricata Ref.
PlantaeFabaceaeVirgilia oroboides Ref.
PlantaeVitaceaeVitis vinifera Ref.
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