input word = C00038036

Metabolite InformationStructural formula
Name Zygophyloside N
Formula C47H76O16
Mw 896.51333638
CAS RN 339164-21-5
C_ID C00038036 ,
InChIKey SUSQHPKXERIBBD-DOMQFNAUNA-N
InChICode InChI=1S/C47H76O16/c1-21-29-23-9-10-27-43(5)13-12-28(42(3,4)26(43)11-14-45(27,7)44(23,6)15-17-47(29)18-16-46(21,8)63-41(47)56)60-40-37(34(54)32(52)25(19-48)59-40)62-39-36(31(51)24(49)20-57-39)61-38-35(55)33(53)30(50)22(2)58-38/h21-40,48-55H,9-20H2,1-8H3/t21-,22+,23-,24+,25-,26+,27-,28+,29-,30+,31+,32-,33-,34+,35-,36-,37-,38+,39+,40+,43-,44-,45-,46+,47-/m1/s1
SMILES C[C@@H]1O[C@@H](O[C@H]2[C@H](O[C@H]3[C@H](O[C@H]4CC[C@]5(C)[C@H]6CC[C@@H]7[C@@H]8[C@@H](C)[C@]9(C)CC[C@@]8(CC[C@@]7(C)[C@]6(C)CC[C@H]5C4(C)C)C(=O)O9)O[C@H](CO)[C@@H](O)[C@@H]3O)OC[C@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeZygophyllaceaeZygophyllum gaetulum Ref.
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