input word = C00014851

Metabolite InformationStructural formula
Name Pelargonidin 3-(6-(malonyl)glucoside)-7-(6-(4-(glucosyl)-p-hydroxybenzoyl)glucoside)
Formula C43H47O25
Mw 963.24064206
CAS RN 215237-92-6
C_ID C00014851 ,
InChIKey BVWDUTYWOIINQI-YRMQHCORNA-O
InChICode InChI=1S/C43H46O25/c44-13-25-30(50)33(53)36(56)41(66-25)62-19-7-3-17(4-8-19)40(59)61-15-27-32(52)34(54)37(57)42(67-27)63-20-9-22(46)21-11-24(39(64-23(21)10-20)16-1-5-18(45)6-2-16)65-43-38(58)35(55)31(51)26(68-43)14-60-29(49)12-28(47)48/h1-11,25-27,30-38,41-44,50-58H,12-15H2,(H2-,45,46,47,48)/p+1/t25-,26-,27-,30-,31-,32-,33+,34+,35+,36+,37+,38-,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)CC(=O)O)O)O)O)c1ccc(cc1)O)O)O[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)COC(=O)c1ccc(cc1)O[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRanunculaceaeDelphinium hybridum Ref.
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