input word = C00046517

Metabolite InformationStructural formula
Name Wilfornine F
Formula C41H47NO17
Mw 825.28439909
CAS RN 262599-06-4
C_ID C00046517 ,
InChIKey XQNQTIUIVUUUGE-UHFFFAOYNA-N
InChICode InChI=1S/C41H47NO17/c1-19-20(2)35(48)58-32-29(47)33(55-23(5)45)40(18-52-21(3)43)34(56-24(6)46)30(54-22(4)44)27-31(57-36(49)25-13-10-9-11-14-25)41(40,39(32,8)51)59-38(27,7)17-53-37(50)26-15-12-16-42-28(19)26/h9-16,19-20,27,29-34,47,51H,17-18H2,1-8H3/t19-,20-,27-,29+,30+,31+,32+,33-,34-,38+,39+,40+,41+/m1/s1
SMILES [C@@H]1([C@H]2[C@]([C@]34[C@@]([C@@H]1OC(=O)C)([C@@H]([C@H]([C@H]([C@@H]3OC(=O)c1ccccc1)[C@@](O4)(COC(=O)c1c([C@@H]([C@H](C(=O)O2)C)C)nccc1)C)OC(=O)C)OC(=O)C)COC(=O)C)(C)O)O
Start Substs in Alk. Biosynthesis (Prediction) L-Asp L-His
Organism
Kingdom Family Species Reference
PlantaeCelastraceaeTripterygium wilfordii Ref.
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OrganismTripterygium wilfordii
ReferenceDuan,J.Nat.Prod.,64,(2001),582