input word = C00048564

Metabolite InformationStructural formula
Name Yemuoside YM26
Formula C63H100O29
Mw 1320.63502724
CAS RN 1169768-86-8
C_ID C00048564 ,
InChIKey OKBJYKBKIUWMQY-TVESQPSANA-N
InChICode InChI=1S/C63H100O29/c1-24-11-16-63(58(80)92-56-47(78)42(73)39(70)32(87-56)23-83-52-48(79)43(74)50(31(20-64)86-52)90-54-45(76)40(71)36(67)25(2)84-54)18-17-61(7)27(28(63)19-24)9-10-34-60(6)14-13-35(59(4,5)33(60)12-15-62(34,61)8)88-57-51(91-55-46(77)41(72)37(68)26(3)85-55)49(30(66)22-82-57)89-53-44(75)38(69)29(65)21-81-53/h9,25-26,28-57,64-79H,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-,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](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](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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