input word = C00058750

Metabolite InformationStructural formula
Name Thalicoside G1
Formula C42H70O15
Mw 814.47147157
CAS RN 213539-67-4
C_ID C00058750
InChIKey YACUFLCPPKZFCZ-ZAQXKBDPSA-N
InChICode InChI=1S/C42H70O15/c1-20(15-43)6-7-22(46)21(2)29-23(47)14-40(5)27-9-8-26-38(3,19-54-36-34(52)32(50)30(48)24(16-44)55-36)28(57-37-35(53)33(51)31(49)25(17-45)56-37)10-11-41(26)18-42(27,41)13-12-39(29,40)4/h6,21-37,43-53H,7-19H2,1-5H3/b20-6-/t21-,22+,23+,24-,25-,26+,27+,28+,29+,30-,31+,32+,33+,34-,35-,36-,37+,38+,39-,40+,41-,42+/m1/s1
SMILES C/C(=C/C[C@H](O)[C@@H](C)[C@H]1[C@@H](O)C[C@@]2(C)[C@@H]3CC[C@H]4[C@](C)(CO[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@@H](O[C@@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5O)CC[C@@]45C[C@@]35CC[C@]12C)CO
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRanunculaceaeThalictrum minus Ref.
zoom in