input word = C00033703

Metabolite InformationStructural formula
Name Caucasicoside C
(-)-Caucasicoside C
Formula C46H74O20
Mw 946.47734481
CAS RN 1011527-18-6
C_ID C00033703 ,
InChIKey VJIVVCPIFZSKPE-RRTACUBWNA-N
InChICode InChI=1S/C46H74O20/c1-18(17-60-41-38(57)36(55)33(52)27(15-47)63-41)9-10-46(59-6)19(2)30-26(66-46)13-24-23-8-7-21-11-22(12-29(50)45(21,5)31(23)25(49)14-44(24,30)4)62-43-40(37(56)34(53)28(16-48)64-43)65-42-39(58)35(54)32(51)20(3)61-42/h7,19-20,22-43,47-58H,1,8-17H2,2-6H3/t19-,20-,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+/m0/s1
SMILES C1[C@@H](CC2=CC[C@@H]3[C@@H]([C@]2([C@@H]1O)C)[C@@H](C[C@]1([C@H]3C[C@H]2[C@@H]1[C@@H]([C@](O2)(CCC(=C)CO[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO)OC)C)C)O)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
PlantaeRanunculaceaeHelleborus caucasicus Ref.
zoom in