input word = C00048573

Metabolite InformationStructural formula
Name Yemuoside YM35
(+)-Yemuoside YM35
Formula C58H94O26
Mw 1206.60333318
CAS RN 1169768-96-0
C_ID C00048573 ,
InChIKey HWAUBZLRFXRFQC-DZZSKTFINA-N
InChICode InChI=1S/C58H94O26/c1-24-34(63)38(67)43(72)49(78-24)83-46-45(82-48-41(70)35(64)27(61)20-75-48)28(62)21-76-51(46)81-33-11-12-54(4)31(55(33,5)23-60)10-13-57(7)32(54)9-8-25-26-18-53(2,3)14-16-58(26,17-15-56(25,57)6)52(74)84-50-44(73)40(69)37(66)30(80-50)22-77-47-42(71)39(68)36(65)29(19-59)79-47/h8,24,26-51,59-73H,9-23H2,1-7H3/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-,54-,55-,56+,57+,58-/m0/s1
SMILES C1[C@@H]2[C@](CCC1(C)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)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLardizabalaceaeStauntonia chinensis Ref.
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