input word = C00041161

Metabolite InformationStructural formula
Name Taxchinin K
Formula C42H48O14
Mw 776.30440624
CAS RN 162558-78-3
C_ID C00041161 ,
InChIKey WNYYQGDIFIYCSD-WYIASDFBNA-N
InChICode InChI=1S/C42H48O14/c1-22-29(51-23(2)43)20-41(39(6,7)49)32(22)33(54-37(47)27-15-11-9-12-16-27)35(55-38(48)28-17-13-10-14-18-28)40(8)30(52-24(3)44)19-31-42(21-50-31,56-26(5)46)34(40)36(41)53-25(4)45/h9-18,29-31,33-36,49H,19-21H2,1-8H3/t29-,30-,31+,33+,34-,35-,36-,40+,41-,42-/m0/s1
SMILES C1[C@@H]2[C@]([C@@H]3[C@@]([C@H]1OC(=O)C)([C@H]([C@@H](C1=C([C@H](C[C@]1([C@H]3OC(=O)C)C(C)(C)O)OC(=O)C)C)OC(=O)c1ccccc1)OC(=O)c1ccccc1)C)(CO2)OC(=O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeTaxaceaeTaxus chinensis Ref.
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