input word = C00049751

Metabolite InformationStructural formula
Name Squarroside C
(-)-Squarroside C
Formula C48H78O19
Mw 958.51373031
CAS RN 252251-73-3
C_ID C00049751 ,
InChIKey YXDUJULGVOLQJL-JJSIGYBTNA-N
InChICode InChI=1S/C48H78O19/c1-20(2)15-23-31(52)29(40(63-23)67-43-39(60)35(56)32(53)24(16-49)64-43)22-9-11-46(6)27-8-7-26-44(4,19-50)28(10-12-47(26)18-48(27,47)14-13-45(22,46)5)66-42-38(59)36(57)33(54)25(65-42)17-61-41-37(58)34(55)30(51)21(3)62-41/h15,21-43,49-60H,7-14,16-19H2,1-6H3/t21-,22+,23+,24+,25+,26-,27-,28-,29-,30-,31+,32+,33+,34+,35-,36-,37+,38+,39+,40-,41+,42-,43-,44+,45+,46-,47+,48-/m0/s1
SMILES CC(C)=C[C@H]1O[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]([C@H]2CC[C@@]3(C)[C@@H]4CC[C@H]5[C@@](C)(CO)[C@@H](O[C@@H]6O[C@H](CO[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@@H](O)[C@H](O)[C@H]6O)CC[C@@]56C[C@@]46CC[C@]23C)[C@@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRanunculaceaeThalictrum squarrosum Ref.
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