input word = C00056233

Metabolite InformationStructural formula
Name Tripterygiumine E
Formula C39H45NO18
Mw 815.26366364
CAS RN 1616264-64-2
C_ID C00056233
InChIKey ICLRZNPHUHBJST-UHFFFAOYSA-N
InChICode InChI=1S/C39H45NO18/c1-17-18(2)33(46)57-30-28(56-34(47)23-11-13-50-14-23)32(55-22(6)44)38(16-51-19(3)41)31(54-21(5)43)27(53-20(4)42)25-29(45)39(38,37(30,8)49)58-36(25,7)15-52-35(48)24-10-9-12-40-26(17)24/h9-14,17-18,25,27-32,45,49H,15-16H2,1-8H3
SMILES CC(=O)OCC12C(OC(C)=O)C(OC(C)=O)C3C(O)C14OC3(C)COC(=O)c1cccnc1C(C)C(C)C(=O)OC(C(OC(=O)c1ccoc1)C2OC(C)=O)C4(C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCelastraceaeTripterygium wilfordii Ref.
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