input word = C00057631

Metabolite InformationStructural formula
Name Sarsasapogenin N
Formula C45H74O17
Mw 886.49260094
CAS RN 888724-00-3
C_ID C00057631
InChIKey XJMYGGMHINYFDO-ZWIPFCLTSA-N
InChICode InChI=1S/C45H74O17/c1-19-9-14-44(55-18-19)22(4)45(54)29(62-44)16-27-25-8-7-23-15-24(10-12-42(23,5)26(25)11-13-43(27,45)6)58-41-38(61-40-35(52)33(50)31(48)21(3)57-40)36(53)37(28(17-46)59-41)60-39-34(51)32(49)30(47)20(2)56-39/h19-41,46-54H,7-18H2,1-6H3/t19-,20-,21-,22+,23+,24-,25+,26-,27-,28+,29-,30-,31-,32+,33+,34+,35+,36-,37+,38+,39-,40-,41+,42-,43-,44+,45+/m0/s1
SMILES C[C@@H](CC1)CO[C@]21O[C@@]3([H])C[C@@]4([H])[C@]5([H])CC[C@]6([H])C[C@@H](O[C@H]7[C@H](O[C@H]8[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O8)[C@@H](O)[C@H](O[C@@H]9O[C@@H](C)[C@H](O)[C@@H](O)[C@H]9O)[C@@H](CO)O7)CC[C@]6(C)[C@@]5([H])CC[C@]4(C)[C@@]3(O)[C@@H]2C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsparagaceaeAsparagus officinalis Ref.
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