input word = C00044206

Metabolite InformationStructural formula
Name Jasurolignoside
(-)-Jasurolignoside
Formula C43H56O21
Mw 908.33140885
CAS RN 212065-15-1
C_ID C00044206 ,
InChIKey GZSUNDIGWVWSKD-GBYKIKCXNA-N
InChICode InChI=1S/C43H56O21/c1-5-21-22(25(40(54)57-4)18-59-41(21)64-43-37(53)35(51)33(49)30(17-46)62-43)14-31(47)58-10-6-7-19-11-23-24(15-44)38(63-39(23)28(12-19)56-3)20-8-9-26(27(13-20)55-2)60-42-36(52)34(50)32(48)29(16-45)61-42/h5,8-9,11-13,18,22,24,29-30,32-38,41-46,48-53H,6-7,10,14-17H2,1-4H3/b21-5+/t22-,24+,29+,30+,32+,33+,34-,35-,36+,37+,38+,41-,42+,43-/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)OCCCc1cc(OC)c2c(c1)[C@H](CO)C(c1ccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(OC)c1)O2
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeOleaceaeJasminum urophyllum Ref.
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