input word = C00044025

Metabolite InformationStructural formula
Name Jujuboside B
Formula C52H84O21
Mw 1044.55050975
CAS RN 55466-05-2
C_ID C00044025 ,
InChIKey OAVAUZCEOWCYCC-NJLOMRTQNA-N
InChICode InChI=1S/C52H84O21/c1-22(2)15-24-16-50(8,63)42-25-9-10-30-48(6)13-12-31(47(4,5)29(48)11-14-49(30,7)51(25)20-52(42,73-24)66-21-51)69-45-41(72-44-38(62)35(59)32(56)23(3)67-44)39(27(55)19-65-45)70-46-40(36(60)34(58)28(17-53)68-46)71-43-37(61)33(57)26(54)18-64-43/h15,23-46,53-63H,9-14,16-21H2,1-8H3/t23-,24-,25+,26+,27-,28+,29-,30+,31-,32-,33-,34+,35+,36-,37+,38+,39-,40+,41+,42-,43-,44-,45-,46-,48-,49+,50-,51-,52-/m0/s1
SMILES [C@H]1([C@H]([C@@H](O[C@H]([C@@H]1O)O[C@@H]1[C@@H](O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O[C@@H]2OC[C@H]([C@@H]([C@H]2O)O)O)[C@@H](O)CO[C@H]1O[C@H]1CC[C@]2([C@H](C1(C)C)CC[C@@]1([C@@H]2CC[C@H]2[C@]31C[C@]1([C@@H]2[C@@](C[C@@H](O1)C=C(C)C)(C)O)OC3)C)C)C)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRhamnaceaeZiziphus jujuba Ref.
PlantaeRhamnaceaeZiziphus jujuba var.spinosa Ref.
PlantaeRhamnaceaeZizyphus jujuba Ref.
PlantaeRhamnaceaeZizyphus lotus Ref.
zoom in



OrganismZiziphus jujuba
ReferenceYin, et al., Modern Study of Chinese Drugs and Clinical Applications (1), Xueyuan Press, Beijing, (1993).

Yoshikawa, et al., Chem Pharm Bull, 40, (1992), 2287.

Chen, Liu, et al., Determination of Effective Components in Traditional Chinese medicines, People's Medical Publishing House, Beijing, (2009)