input word = C00056242

Metabolite InformationStructural formula
Name Tripterygiumine N
Formula C44H45NO19
Mw 891.25857827
CAS RN 1616264-71-1
C_ID C00056242
InChIKey RAHIPTJXLNNXCR-UHFFFAOYSA-N
InChICode InChI=1S/C44H45NO19/c1-22(46)57-21-43-33(59-23(2)47)30(49)29-32(50)44(43)42(6,55)34(31(35(43)60-24(3)48)61-36(51)25-11-8-7-9-12-25)62-39(54)40(4,63-37(52)26-15-18-56-19-26)16-14-28-27(13-10-17-45-28)38(53)58-20-41(29,5)64-44/h7-13,15,17-19,29,31-35,50,55H,14,16,20-21H2,1-6H3
SMILES CC(=O)OCC12C(OC(C)=O)C(=O)C3C(O)C14OC3(C)COC(=O)c1cccnc1CCC(C)(OC(=O)c1ccoc1)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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