input word = C00056209

Metabolite InformationStructural formula
Name Triptersinine P
Formula C36H42N2O12
Mw 694.27377482
CAS RN 1782099-59-5
C_ID C00056209
InChIKey GVQRXJXXKARUDN-JJDMWNSCSA-N
InChICode InChI=1S/C36H42N2O12/c1-8-20(2)30(41)47-25-13-14-34(7,44)36-28(46-22(4)40)26(33(5,6)50-36)27(48-31(42)23-11-9-15-37-17-23)29(35(25,36)19-45-21(3)39)49-32(43)24-12-10-16-38-18-24/h8-12,15-18,25-29,44H,13-14,19H2,1-7H3/b20-8+/t25-,26+,27+,28+,29+,34-,35-,36-/m0/s1
SMILES C/C=C(C)C(=O)O[C@H]1CC[C@](C)(O)[C@]23OC(C)(C)[C@H]([C@@H](OC(=O)c4cccnc4)[C@@H](OC(=O)c4cccnc4)[C@]12COC(C)=O)[C@H]3OC(C)=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCelastraceaeTripterygium wilfordii Ref.
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