input word = C00006867

Metabolite InformationStructural formula
Name Peonidin 3-(6''-p-coumarylglucoside)-5-glucoside
Formula C37H39O18
Mw 771.21363945
CAS RN 51939-65-2
C_ID C00006867 ,
InChIKey YOBDYPINTRIHCR-MVQMAMMTNA-O
InChICode InChI=1S/C37H38O18/c1-49-24-10-17(5-8-21(24)41)35-25(13-20-22(51-35)11-19(40)12-23(20)52-36-33(47)31(45)29(43)26(14-38)54-36)53-37-34(48)32(46)30(44)27(55-37)15-50-28(42)9-4-16-2-6-18(39)7-3-16/h2-13,26-27,29-34,36-38,43-48H,14-15H2,1H3,(H2-,39,40,41,42)/p+1/t26-,27-,29-,30-,31+,32+,33+,34-,36-,37-/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=C/c1ccc(cc1)O)O)O)O)c1ccc(c(c1)OC)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
PlantaeVitaceaeVitis amurensis Ref.
PlantaeVitaceaeVitis vinifera Ref.
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