input word = C00048569

Metabolite InformationStructural formula
Name Yemuoside YM31
(+)-Yemuoside YM31
Formula C57H90O26
Mw 1190.57203305
CAS RN 1169768-91-5
C_ID C00048569 ,
InChIKey KBHBZLGXNVNWDM-HKCDYMOPNA-N
InChICode InChI=1S/C57H90O26/c1-23-9-14-57(52(73)83-50-44(72)40(68)37(65)30(79-50)21-76-47-42(70)39(67)36(64)29(18-58)78-47)16-15-55(5)25(26(57)17-23)7-8-32-53(3)12-11-33(54(4,22-59)31(53)10-13-56(32,55)6)80-51-46(82-49-43(71)38(66)34(62)24(2)77-49)45(28(61)20-75-51)81-48-41(69)35(63)27(60)19-74-48/h7,24,26-51,58-72H,1,8-22H2,2-6H3/t24-,26-,27+,28-,29+,30+,31+,32+,33-,34-,35-,36-,37-,38+,39-,40-,41+,42+,43+,44+,45-,46+,47+,48-,49-,50-,51-,53-,54-,55+,56+,57-/m0/s1
SMILES C=C1CC[C@]2(C(=O)O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6OC[C@H](O)[C@H](O[C@@H]7OC[C@@H](O)[C@H](O)[C@H]7O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2C1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLardizabalaceaeStauntonia chinensis Ref.
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OrganismStauntonia chinensis
ReferenceGao,Phytochem.,70,(2009),795