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@H]1(O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO)O[C@H]1/C(=C/C)/[C@@H](C(=CO1)C(=O)OC)CC(=O)OCCCc1cc(c2c(c1)[C@H]([C@H](O2)c1ccc(c(c1)OC)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO)CO)OC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeOleaceaeJasminum urophyllum Ref.
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