input word = C00058751

Metabolite InformationStructural formula
Name Thalicoside G2
Formula C42H70O15
Mw 814.47147157
CAS RN 213539-68-5
C_ID C00058751
InChIKey XNEFWTQFWGCRCW-MRLVZVIJSA-N
InChICode InChI=1S/C42H70O15/c1-19(2)21(45)13-22(46)20(3)29-23(47)14-40(6)27-8-7-26-38(4,18-54-36-34(52)32(50)30(48)24(15-43)55-36)28(57-37-35(53)33(51)31(49)25(16-44)56-37)9-10-41(26)17-42(27,41)12-11-39(29,40)5/h20-37,43-53H,1,7-18H2,2-6H3/t20-,21?,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(O)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
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRanunculaceaeThalictrum minus Ref.
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