input word = C00048565

Metabolite InformationStructural formula
Name Yemuoside YM27
(+)-Yemuoside YM27
Formula C64H102O30
Mw 1350.64559192
CAS RN 1169768-87-9
C_ID C00048565 ,
InChIKey RKIQWFYEUQNDEC-JNZSOBOYNA-N
InChICode InChI=1S/C64H102O30/c1-24-11-16-64(59(82)94-57-48(80)43(75)39(71)32(89-57)23-84-53-49(81)44(76)51(31(21-66)88-53)92-54-45(77)40(72)36(68)25(2)85-54)18-17-62(7)27(28(64)19-24)9-10-34-61(6)14-13-35(60(4,5)33(61)12-15-63(34,62)8)90-58-52(93-55-46(78)41(73)37(69)26(3)86-55)50(29(67)22-83-58)91-56-47(79)42(74)38(70)30(20-65)87-56/h9,25-26,28-58,65-81H,1,10-23H2,2-8H3/t25-,26-,28-,29-,30+,31+,32+,33-,34+,35-,36-,37-,38+,39-,40+,41+,42-,43-,44-,45+,46+,47+,48+,49+,50-,51-,52+,53+,54-,55-,56-,57-,58-,61-,62+,63+,64-/m0/s1
SMILES C1[C@@H]2[C@](CCC1=C)(CC[C@@]1(C2=CC[C@H]2[C@]1(CC[C@@H]1[C@@]2(CC[C@@H](C1(C)C)O[C@@H]1OC[C@@H]([C@@H]([C@H]1O[C@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)C)O)O)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O)C)C)C)C(=O)O[C@@H]1O[C@@H]([C@@H]([C@@H]([C@H]1O)O)O)CO[C@H]1[C@@H]([C@@H]([C@H]([C@H](O1)CO)O[C@@H]1O[C@H]([C@@H]([C@H]([C@H]1O)O)O)C)O)O
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