input word = C00013192

Metabolite InformationStructural formula
Name Wilforgin
Wilforgine
(8alpha)-8-(Acetyloxy)-O2-deacetyl-8-deoxo-O2-(3-furanylcarbonyl)evonimine
Formula C41H47NO19
Mw 857.27422833
CAS RN 37239-47-7
C_ID C00013192 ,
InChIKey QFIYSPKZWOALMZ-UHFFFAOYNA-N
InChICode InChI=1S/C41H47NO19/c1-19-11-12-27-26(10-9-14-42-27)37(50)54-17-38(7)28-29(55-21(3)44)33(57-23(5)46)40(18-53-20(2)43)34(58-24(6)47)30(59-36(49)25-13-15-52-16-25)32(60-35(19)48)39(8,51)41(40,61-38)31(28)56-22(4)45/h9-10,13-16,19,28-34,51H,11-12,17-18H2,1-8H3/t19-,28+,29+,30-,31-,32-,33+,34+,38+,39-,40-,41-/m1/s1
SMILES [C@H]12[C@]3(O[C@]4([C@@]([C@H]([C@@H]([C@H]([C@@]4(C)O)OC(=O)[C@@H](CCc4c(C(=O)OC3)cccn4)C)OC(=O)c3ccoc3)OC(=O)C)([C@H]([C@H]1OC(=O)C)OC(=O)C)COC(=O)C)[C@@H]2OC(=O)C)C
Start Substs in Alk. Biosynthesis (Prediction) L-Asp L-His
Organism
Kingdom Family Species Reference
PlantaeCelastraceaeTripterygium hypoglaucum Ref.
PlantaeCelastraceaeTripterygium wilfordii Hook. Ref.
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