input word = C00058400

Metabolite InformationStructural formula
Name Chaohuoside A
Formula C45H56O23
Mw 964.3212381
CAS RN 178803-77-5
C_ID C00058400
InChIKey FUUKSFRCQXOOMU-HAZFJHNSSA-N
InChICode InChI=1S/C45H56O23/c1-17(2)8-13-24-26(63-43-34(55)33(54)30(51)27(15-46)64-43)14-25(50)29-32(53)41(38(66-39(24)29)22-9-11-23(58-7)12-10-22)67-44-36(57)42(37(18(3)60-44)61-20(5)48)68-45-35(56)40(62-21(6)49)31(52)28(65-45)16-59-19(4)47/h8-12,14,18,27-28,30-31,33-37,40,42-46,50-52,54-57H,13,15-16H2,1-7H3/t18-,27+,28+,30+,31+,33-,34+,35+,36+,37-,40-,42-,43+,44-,45-/m0/s1
SMILES COc1ccc(-c2oc3c(CC=C(C)C)c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc(O)c3c(=O)c2O[C@@H]2O[C@@H](C)[C@H](OC(C)=O)[C@@H](O[C@@H]3O[C@H](COC(C)=O)[C@@H](O)[C@H](OC(C)=O)[C@H]3O)[C@H]2O)cc1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeBerberidaceaeEpimedium koreanum Ref.
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