input word = C00048567

Metabolite InformationStructural formula
Name Yemuoside YM29
(+)-Yemuoside YM29
Formula C63H100O30
Mw 1336.62994186
CAS RN 1169768-89-1
C_ID C00048567 ,
InChIKey WIPJSJBVIZORKW-PUKQQALBNA-N
InChICode InChI=1S/C63H100O30/c1-24-10-15-63(58(81)93-56-47(79)42(74)39(71)32(88-56)22-84-52-48(80)43(75)50(31(19-64)87-52)91-54-45(77)40(72)36(68)25(2)85-54)17-16-61(6)27(28(63)18-24)8-9-34-59(4)13-12-35(60(5,23-65)33(59)11-14-62(34,61)7)89-57-51(92-55-46(78)41(73)37(69)26(3)86-55)49(30(67)21-83-57)90-53-44(76)38(70)29(66)20-82-53/h8,25-26,28-57,64-80H,1,9-23H2,2-7H3/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-,59-,60-,61+,62+,63-/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]([C@]1(CO)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](CO1)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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