input word = C00056234

Metabolite InformationStructural formula
Name Tripterygiumine F
Formula C46H49NO19
Mw 919.28987839
CAS RN 1616264-65-3
C_ID C00056234
InChIKey INTUZWVQVCYQHS-UHFFFAOYSA-N
InChICode InChI=1S/C46H49NO19/c1-22-23(2)39(52)65-36-34(63-40(53)28-13-10-9-11-14-28)38(62-27(6)51)45(21-58-24(3)48)37(61-26(5)50)33(60-25(4)49)31-35(64-41(54)29-16-18-57-19-29)46(45,44(36,8)56)66-43(31,7)20-59-42(55)30-15-12-17-47-32(22)30/h9-19,22-23,31,33-38,56H,20-21H2,1-8H3
SMILES CC(=O)OCC12C(OC(C)=O)C(OC(C)=O)C3C(OC(=O)c4ccoc4)C14OC3(C)COC(=O)c1cccnc1C(C)C(C)C(=O)OC(C(OC(=O)c1ccccc1)C2OC(C)=O)C4(C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCelastraceaeTripterygium wilfordii Ref.
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