input word = C00045458

Metabolite InformationStructural formula
Name Yesanchinoside C
(+)-Yesanchinoside C
Formula C47H80O19
Mw 948.52938038
CAS RN 416843-86-2
C_ID C00045458 ,
InChIKey AICKXAXCPBHDBZ-ISEUDJNBNA-N
InChICode InChI=1S/C47H80O19/c1-42(2)27(52)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)16-23(38(42)44)61-40-36(33(56)31(54)24(17-48)62-40)65-41-37(34(57)32(55)25(18-49)63-41)64-39-35(58)30(53)22(51)19-60-39/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]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O[C@@H]4OC[C@@H](O)[C@H](O)[C@H]4O)C[C@]23C)O1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAraliaceaePanax japonicus Ref.
PlantaeAraliaceaePanax pseudo-ginseng var.japonicus Ref.
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