input word = C00035266

Metabolite InformationStructural formula
Name Ciwujianoside D2
(+)-Ciwujianoside D2
Formula C54H84O22
Mw 1084.54542437
CAS RN 114892-57-8
C_ID C00035266 ,
InChIKey XPCKJVBBSBPFQL-USNOEGDXNA-N
InChICode InChI=1S/C54H84O22/c1-23-11-16-54(18-17-52(7)26(27(54)19-23)9-10-32-51(6)14-13-33(50(4,5)31(51)12-15-53(32,52)8)74-46-40(63)35(58)28(56)20-69-46)49(67)76-48-42(65)38(61)36(59)29(72-48)21-70-45-43(66)39(62)44(30(73-45)22-68-25(3)55)75-47-41(64)37(60)34(57)24(2)71-47/h9,24,27-48,56-66H,1,10-22H2,2-8H3/t24-,27-,28-,29+,30+,31-,32+,33-,34-,35-,36-,37+,38-,39-,40+,41+,42+,43+,44-,45+,46-,47-,48-,51-,52+,53+,54-/m0/s1
SMILES C=C1CC[C@]2(C(=O)O[C@@H]3O[C@H](CO[C@@H]4O[C@H](COC(C)=O)[C@@H](O[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6OC[C@H](O)[C@H](O)[C@H]6O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAraliaceaeAcanthopanax senticosus Ref.
PlantaeAraliaceaeEleutherococcus senticosus Rupr.and Maxim. Ref.
zoom in