input word = C00049317

Metabolite InformationStructural formula
Name Thalicoside F
Formula C47H74O17
Mw 910.49260094
CAS RN 202585-94-2
C_ID C00049317 ,
InChIKey CLQALJAEJWNGNT-FCOZJHLWNA-N
InChICode InChI=1S/C47H74O17/c1-20-26(49)29(52)32(55)38(58-20)63-33-30(53)27(50)21(18-48)59-39(33)60-22-19-57-37(31(54)28(22)51)61-25-10-11-43(6)23(42(25,4)5)9-12-44(7)35(43)34-36(62-34)47-24-17-41(2,3)13-15-46(24,40(56)64-47)16-14-45(44,47)8/h20-39,48-55H,9-19H2,1-8H3/t20-,21+,22-,23-,24+,25-,26-,27+,28-,29+,30-,31+,32+,33+,34-,35+,36-,37-,38-,39-,43-,44+,45-,46-,47+/m0/s1
SMILES C[C@@H]1O[C@@H](O[C@H]2[C@H](O[C@H]3CO[C@@H](O[C@H]4CC[C@]5(C)[C@H]6[C@@H]7O[C@@H]7[C@]78OC(=O)[C@@]9(CCC(C)(C)C[C@H]97)CC[C@@]8(C)[C@]6(C)CC[C@H]5C4(C)C)[C@H](O)[C@H]3O)O[C@H](CO)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRanunculaceaeThalictrum minus Ref.
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