input word = C00003591

Metabolite InformationStructural formula
Name Asparanin B
Shatavarin IV
Asparinin B
(+)-Asparinin B
Formula C45H74O17
Mw 886.49260094
CAS RN 84633-34-1
C_ID C00003591 ,
InChIKey BCUDKRWNGQAFLF-LVLILHJENA-N
InChICode InChI=1S/C45H74O17/c1-19-8-13-45(55-18-19)20(2)30-27(62-45)15-26-24-7-6-22-14-23(9-11-43(22,4)25(24)10-12-44(26,30)5)57-42-39(61-41-36(53)34(51)32(49)28(16-46)58-41)37(54)38(29(17-47)59-42)60-40-35(52)33(50)31(48)21(3)56-40/h19-42,46-54H,6-18H2,1-5H3/t19-,20-,21+,22+,23-,24+,25-,26-,27-,28+,29+,30-,31-,32-,33+,34-,35+,36+,37-,38-,39+,40-,41-,42-,43-,44-,45+/m0/s1
SMILES C1[C@@H](C[C@@H]2[C@](C1)([C@@H]1[C@@H](CC2)[C@H]2[C@](CC1)([C@@H]1[C@H](C2)O[C@]2([C@H]1C)OC[C@H](CC2)C)C)C)O[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O[C@H]1[C@@H]([C@@H]([C@H]([C@H](O1)C)O)O)O)O)O[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsparagaceaeAsparagus curillus Ref.
PlantaeAsparagaceaeAsparagus racemosus Ref.
zoom in