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 C1[C@@H]2[C@]3(CCC1(C)C)CC[C@@]1([C@@]2([C@@H]2[C@H]([C@H]4[C@]1(CC[C@@H]1[C@@]4(CC[C@@H](C1(C)C)O[C@@H]1OC[C@@H]([C@@H]([C@H]1O)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O[C@@H]1O[C@H]([C@@H]([C@H]([C@H]1O)O)O)C)C)C)O2)OC3=O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRanunculaceaeThalictrum minus Ref.
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