input word = C00056208

Metabolite InformationStructural formula
Name Triptersinine O
Formula C35H37NO14
Mw 695.2214049
CAS RN 1782099-57-3
C_ID C00056208
InChIKey PSVCAINSUVVKOZ-ZKJURUQPSA-N
InChICode InChI=1S/C35H37NO14/c1-19(37)45-18-34-24(47-30(40)22-9-13-43-16-22)8-11-33(5,42)35(34)27(48-31(41)23-10-14-44-17-23)25(32(3,4)50-35)26(46-20(2)38)28(34)49-29(39)21-7-6-12-36-15-21/h6-7,9-10,12-17,24-28,42H,8,11,18H2,1-5H3/t24-,25+,26+,27+,28+,33-,34-,35-/m0/s1
SMILES CC(=O)OC[C@@]12[C@@H](OC(=O)c3ccoc3)CC[C@](C)(O)[C@]13OC(C)(C)[C@H]([C@@H](OC(C)=O)[C@H]2OC(=O)c1cccnc1)[C@H]3OC(=O)c1ccoc1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCelastraceaeTripterygium wilfordii Ref.
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