input word = C00054798

Metabolite InformationStructural formula
Name Ceparoside A
Formula C45H74O18
Mw 902.48751556
CAS RN 1054451-71-6
C_ID C00054798
InChIKey RMBBSCRRUXXNCM-POFRCANHSA-N
InChICode InChI=1S/C45H74O18/c1-19(17-57-40-37(54)36(53)34(51)29(16-46)60-40)9-12-45(56-6)20(2)31-28(63-45)15-26-24-8-7-22-13-23(47)14-30(44(22,5)25(24)10-11-43(26,31)4)61-42-39(33(50)27(48)18-58-42)62-41-38(55)35(52)32(49)21(3)59-41/h7,19-21,23-42,46-55H,8-18H2,1-6H3/t19-,20+,21+,23-,24-,25+,26+,27+,28+,29-,30-,31+,32+,33+,34-,35-,36+,37-,38-,39-,40-,41+,42+,43+,44+,45-/m1/s1
SMILES CO[C@]1(CC[C@@H](C)CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)O[C@H]2C[C@H]3[C@@H]4CC=C5C[C@@H](O)C[C@@H](O[C@@H]6OC[C@H](O)[C@H](O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)[C@]5(C)[C@H]4CC[C@]3(C)[C@H]2[C@@H]1C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAlliaceaeAllium cepa Ref.
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