input word = C00056945

Metabolite InformationStructural formula
Name Quinquenoside L17
Formula C47H80O18
Mw 932.53446575
CAS RN 1213702-92-1
C_ID C00056945
InChIKey FUNRTBXEVGIOFB-KVOWVOIYSA-N
InChICode InChI=1S/C47H80O18/c1-21(2)10-9-13-47(8,65-42-38(59)35(56)33(54)27(64-42)20-61-40-36(57)31(52)24(50)19-60-40)22-11-15-45(6)30(22)23(49)16-28-44(5)14-12-29(51)43(3,4)39(44)25(17-46(28,45)7)62-41-37(58)34(55)32(53)26(18-48)63-41/h10,22-42,48-59H,9,11-20H2,1-8H3/t22-,23+,24+,25-,26+,27+,28+,29-,30-,31-,32+,33+,34-,35-,36+,37+,38+,39-,40-,41+,42-,44+,45+,46+,47-/m0/s1
SMILES CC(C)=CCC[C@](C)(O[C@@H]1O[C@H](CO[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O)[C@H]1CC[C@]2(C)[C@@H]1[C@H](O)C[C@@H]1[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)C[C@]12C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAraliaceaePanax quinquefolium Ref.
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