input word = C00050135

Metabolite InformationStructural formula
Name Jasuroside C
(-)-Jasuroside C
Formula C44H64O24
Mw 976.37875298
CAS RN 190896-95-8
C_ID C00050135 ,
InChIKey QGVKUNWDVOEJOC-IQOWOQLKNA-N
InChICode InChI=1S/C44H64O24/c1-6-20-23(26(39(57)59-4)16-62-41(20)67-43-37(55)35(53)33(51)29(13-47)65-43)9-31(49)61-15-25-18(3)28(8-22(25)19(11-45)12-46)64-32(50)10-24-21(7-2)42(63-17-27(24)40(58)60-5)68-44-38(56)36(54)34(52)30(14-48)66-44/h6-7,16-19,22-25,28-30,33-38,41-48,51-56H,8-15H2,1-5H3/b20-6+,21-7+/t18-,22-,23-,24-,25+,28-,29+,30+,33+,34+,35-,36-,37+,38+,41-,42-,43-,44-/m0/s1
SMILES C/C=C1/[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C(C(=O)OC)[C@H]1CC(=O)OC[C@@H]1[C@H](C)[C@@H](OC(=O)C[C@@H]2C(C(=O)OC)=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)/C2=C/C)C[C@H]1C(CO)CO
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeOleaceaeJasminum urophyllum Ref.
zoom in