input word = C00035156

Metabolite InformationStructural formula
Name Racemoside C
(-)-Racemoside C
Formula C45H74O16
Mw 870.49768632
CAS RN 905929-91-1
C_ID C00035156 ,
InChIKey BWYAGTYHXROECV-XRKCFDEHNA-N
InChICode InChI=1S/C45H74O16/c1-19-9-14-45(55-17-19)20(2)30-28(61-45)16-27-25-8-7-23-15-24(10-12-43(23,5)26(25)11-13-44(27,30)6)58-42-38(53)35(50)39(60-41-37(52)34(49)32(47)22(4)57-41)29(59-42)18-54-40-36(51)33(48)31(46)21(3)56-40/h19-42,46-53H,7-18H2,1-6H3/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[C@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)C)O)O)O)CO[C@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)C)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsparagaceaeAsparagus racemosus Ref.
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