input word = C00056198

Metabolite InformationStructural formula
Name Triptersinine E
Formula C36H41NO12
Mw 679.26287578
CAS RN 1416246-24-6
C_ID C00056198
InChIKey HEBKEDIHKXTFHU-ZTCWJRADSA-N
InChICode InChI=1S/C36H41NO12/c1-21(38)44-20-35-26(47-27(41)15-14-24-11-8-7-9-12-24)16-17-34(6,43)36(35)30(46-23(3)40)28(33(4,5)49-36)29(45-22(2)39)31(35)48-32(42)25-13-10-18-37-19-25/h7-15,18-19,26,28-31,43H,16-17,20H2,1-6H3/b15-14-/t26-,28+,29+,30+,31+,34-,35-,36-/m0/s1
SMILES CC(=O)OC[C@@]12[C@@H](OC(=O)/C=Cc3ccccc3)CC[C@](C)(O)[C@]13OC(C)(C)[C@H]([C@@H](OC(C)=O)[C@H]2OC(=O)c1cccnc1)[C@H]3OC(C)=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCelastraceaeTripterygium wilfordii Ref.
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OrganismTripterygium wilfordii
ReferenceLv, H. et al., Fitoterapia, 137, (2019), 104190.