input word = C00033443

Metabolite InformationStructural formula
Name Trigoneoside XIIa
(-)-Trigoneoside XIIa
Formula C45H74O18
Mw 902.48751556
CAS RN 290347-97-6
C_ID C00033443 ,
InChIKey LWXZBNGSFONONO-AIRFDADTNA-N
InChICode InChI=1S/C45H74O18/c1-19(18-57-40-37(54)35(52)32(49)28(16-46)60-40)8-13-45(56)20(2)30-27(63-45)15-26-24-7-6-22-14-23(9-11-43(22,4)25(24)10-12-44(26,30)5)59-42-39(36(53)33(50)29(17-47)61-42)62-41-38(55)34(51)31(48)21(3)58-41/h14,19-21,23-42,46-56H,6-13,15-18H2,1-5H3/t19-,20-,21-,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=C2[C@](C1)([C@@H]1[C@@H](CC2)[C@H]2[C@](CC1)([C@@H]1[C@H](C2)O[C@@]([C@H]1C)(CC[C@@H](CO[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO)C)O)C)C)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O[C@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)C)O)O)O)O)O)CO
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeTrigonella foenum Ref.
PlantaeFabaceaeTrigonella foenum-graecum L. Ref.
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OrganismTrigonella foenum-graecum L.
ReferenceMurakami,Chem.Pharm.Bull.,48,(2000),994