input word = C00041446

Metabolite InformationStructural formula
Name Ciwujianoside A2
Formula C58H92O26
Mw 1204.58768311
CAS RN 120726-93-4
C_ID C00041446 ,
InChIKey PSADFEDOHJXDLC-UHFFFAOYNA-N
InChICode InChI=1S/C58H92O26/c1-23-10-15-58(53(74)84-51-44(72)40(68)37(65)30(80-51)22-76-48-45(73)41(69)46(29(20-60)79-48)82-49-42(70)38(66)34(62)24(2)77-49)17-16-56(6)25(26(58)18-23)8-9-32-55(5)13-12-33(54(3,4)31(55)11-14-57(32,56)7)81-52-47(35(63)27(61)21-75-52)83-50-43(71)39(67)36(64)28(19-59)78-50/h8,24,26-52,59-73H,1,9-22H2,2-7H3/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+,52+,55+,56+,57+,58-/m1/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)CO)O)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]1O[C@H]([C@@H]([C@@H]([C@@H]1O)O)O[C@@H]1O[C@@H]([C@@H]([C@@H]([C@H]1O)O)O)C)CO
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAraliaceaeAcanthopanax senticosus Ref.
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