input word = C00057921

Metabolite InformationStructural formula
Name Vinaginsenoside R5
Formula C47H80O19
Mw 948.52938038
CAS RN 156009-81-3
C_ID C00057921
InChIKey KJYLEUAWRQFTNS-SEXUZNMQSA-N
InChICode InChI=1S/C47H80O19/c1-42(2)27(51)10-12-44(5)26-15-21(50)29-20(47(8)14-11-28(66-47)43(3,4)59)9-13-45(29,6)46(26,7)16-22(38(42)44)61-41-37(34(56)31(53)24(18-49)63-41)65-39-35(57)32(54)25(19-60-39)64-40-36(58)33(55)30(52)23(17-48)62-40/h20-41,48-59H,9-19H2,1-8H3/t20-,21+,22-,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@@H]1CC[C@@](C)([C@H]2CC[C@]3(C)[C@@H]2[C@H](O)C[C@@H]2[C@@]4(C)CC[C@H](O)C(C)(C)[C@@H]4[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O[C@@H]4OC[C@@H](O[C@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4O)C[C@]23C)O1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAraliaceaePanax vietnamensis Ref.
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