input word = C00035155

Metabolite InformationStructural formula
Name Racemoside B
(-)-Racemoside B
Formula C45H74O17
Mw 886.49260094
CAS RN 905929-90-0
C_ID C00035155 ,
InChIKey SOLLLKXKOBZXOZ-PWDSHFEINA-N
InChICode InChI=1S/C45H74O17/c1-19-8-13-45(57-16-19)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)59-42-39(54)36(51)33(48)29(61-42)18-56-41-38(53)35(50)32(47)28(60-41)17-55-40-37(52)34(49)31(46)21(3)58-40/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]1O[C@@H]([C@@H]([C@@H]([C@H]1O)O)O)CO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO[C@@H]1O[C@H]([C@@H]([C@H]([C@H]1O)O)O)C)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsparagaceaeAsparagus racemosus Ref.
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