input word = C00045457

Metabolite InformationStructural formula
Name Yesanchinoside B
(+)-Yesanchinoside B
Formula C48H82O20
Mw 978.53994506
CAS RN 416843-85-1
C_ID C00045457 ,
InChIKey GZUKIRNDAPJWCK-HGFDYCSLNA-N
InChICode InChI=1S/C48H82O20/c1-43(2)27(52)10-12-45(5)26-15-21(51)29-20(48(8)14-11-28(68-48)44(3,4)61)9-13-46(29,6)47(26,7)16-22(39(43)45)63-42-38(67-41-37(60)34(57)31(54)24(18-50)65-41)35(58)32(55)25(66-42)19-62-40-36(59)33(56)30(53)23(17-49)64-40/h20-42,49-61H,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-,42+,45+,46+,47+,48-/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]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[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[C@]23C)O1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAraliaceaePanax japonicus Ref.
PlantaeAraliaceaePanax pseudo-ginseng var.japonicus Ref.
zoom in