input word = C00056247

Metabolite InformationStructural formula
Name Tripterygiumine S
Formula C39H43NO19
Mw 829.2429282
CAS RN 2016024-49-8
C_ID C00056247
InChIKey LVRWHLVKSXHMFM-UHFFFAOYSA-N
InChICode InChI=1S/C39H43NO19/c1-18(41)52-17-38-30(55-20(3)43)26(45)25-28(54-19(2)42)39(38)37(7,50)29(27(46)31(38)56-21(4)44)57-34(49)35(5,58-32(47)22-11-14-51-15-22)12-10-24-23(9-8-13-40-24)33(48)53-16-36(25,6)59-39/h8-9,11,13-15,25,27-31,46,50H,10,12,16-17H2,1-7H3
SMILES CC(=O)OCC12C(OC(C)=O)C(=O)C3C(OC(C)=O)C14OC3(C)COC(=O)c1cccnc1CCC(C)(OC(=O)c1ccoc1)C(=O)OC(C(O)C2OC(C)=O)C4(C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCelastraceaeTripterygium wilfordii Ref.
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