input word = C00006869

Metabolite InformationStructural formula
Name Peonidin 3-p-coumarylsophoroside-5-glucoside
Formula C43H49O23
Mw 933.26646288
CAS RN 38718-99-9
C_ID C00006869 ,
InChIKey BOTFATMRFBEIQT-PJMJEEOGNA-O
InChICode InChI=1S/C43H48O23/c1-58-25-10-18(5-8-22(25)48)39-26(13-21-23(60-39)11-20(47)12-24(21)61-41-37(56)34(53)31(50)27(14-44)63-41)62-43-40(66-42-38(57)35(54)32(51)28(15-45)64-42)36(55)33(52)29(65-43)16-59-30(49)9-4-17-2-6-19(46)7-3-17/h2-13,27-29,31-38,40-45,50-57H,14-16H2,1H3,(H2-,46,47,48,49)/p+1/t27-,28-,29-,31-,32-,33-,34+,35+,36+,37+,38-,40+,41-,42+,43-/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[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)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
PlantaeConvolvulaceaeIpomoea congesta Ref.
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