input word = C00056807

Metabolite InformationStructural formula
Name Notoginsenoside ST5
Formula C47H80O18
Mw 932.53446575
CAS RN 1013121-67-9
C_ID C00056807
InChIKey JRYCRNFBUWOUGL-PCKFXWCZSA-N
InChICode InChI=1S/C47H80O18/c1-42(2,58)13-9-14-47(8,59)22-10-16-46(7)30(22)23(50)18-28-44(5)15-12-29(43(3,4)27(44)11-17-45(28,46)6)63-40-37(34(55)32(53)25(19-48)61-40)65-41-38(35(56)33(54)26(20-49)62-41)64-39-36(57)31(52)24(51)21-60-39/h9,13,22-41,48-59H,10-12,14-21H2,1-8H3/b13-9+/t22-,23+,24+,25+,26+,27-,28+,29-,30-,31-,32+,33+,34-,35-,36+,37+,38+,39-,40-,41-,44-,45+,46+,47-/m0/s1
SMILES CC(C)(O)/C=C/C[C@](C)(O)[C@@]1([H])CC[C@@]2(C)[C@]([C@]3([H])C[C@@H](O)[C@@]21[H])(C)CC[C@@]([C@]3(C)CC4)([H])C(C)(C)[C@H]4O[C@H]5[C@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O[C@@H]7OC[C@@H](O)[C@H](O)[C@H]7O)[C@@H](O)[C@H](O)[C@@H](CO)O5
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAraliaceaePanax notoginseng Ref.
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