input word = C00051158

Metabolite InformationStructural formula
Name Korepimedoside C
Formula C41H52O21
Mw 880.30010873
CAS RN 205445-00-7
C_ID C00051158
InChIKey DSBGQYHARXPXRK-UTGYWLAUNA-N
InChICode InChI=1S/C41H52O21/c1-15(2)6-11-20-22(57-39-31(51)29(49)26(46)23(13-42)58-39)12-21(45)25-28(48)37(35(60-36(20)25)18-7-9-19(54-5)10-8-18)61-41-33(53)38(34(16(3)55-41)56-17(4)44)62-40-32(52)30(50)27(47)24(14-43)59-40/h6-10,12,16,23-24,26-27,29-34,38-43,45-47,49-53H,11,13-14H2,1-5H3/t16-,23+,24+,26+,27+,29-,30-,31+,32+,33+,34-,38-,39+,40-,41-/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](CO)[C@@H](O)[C@H](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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