input word = C00035262

Metabolite InformationStructural formula
Name Ciwujianoside C2
Formula C60H94O26
Mw 1230.60333318
CAS RN 114892-56-7
C_ID C00035262 ,
InChIKey NPCYPPUNOYDHKT-VAUHPLNCNA-N
InChICode InChI=1S/C60H94O26/c1-24-12-17-60(55(75)86-53-46(73)42(69)39(66)31(81-53)22-78-50-47(74)43(70)48(32(82-50)23-76-27(4)61)84-51-44(71)40(67)36(63)25(2)79-51)19-18-58(8)28(29(60)20-24)10-11-34-57(7)15-14-35(56(5,6)33(57)13-16-59(34,58)9)83-54-49(38(65)30(62)21-77-54)85-52-45(72)41(68)37(64)26(3)80-52/h10,25-26,29-54,62-74H,1,11-23H2,2-9H3/t25-,26-,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-,57-,58+,59+,60-/m0/s1
SMILES C1[C@@H](C([C@H]2[C@](C1)([C@@H]1[C@@](CC2)([C@]2(C(=CC1)[C@H]1[C@@](CC2)(CCC(=C)C1)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)COC(=O)C)O[C@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)C)O)O)O)O)O)C)C)C)(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)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAraliaceaeAcanthopanax senticosus Ref.
PlantaeAraliaceaeEleutherococcus senticosus Rupr.and Maxim. Ref.
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