input word = C00056283

Metabolite InformationStructural formula
Name Wilforsinine H
Formula C35H40N2O13
Mw 696.25303938
CAS RN 1325666-18-9
C_ID C00056283
InChIKey NNRODJPQHKONAP-GOTDZFSXSA-N
InChICode InChI=1S/C35H40N2O13/c1-18-14-25(48-31(42)23-10-8-12-36-15-23)28(45-20(3)39)34(17-44-19(2)38)30(47-22(5)41)27(49-32(43)24-11-9-13-37-16-24)26-29(46-21(4)40)35(18,34)50-33(26,6)7/h8-13,15-16,18,25-30H,14,17H2,1-7H3/t18-,25+,26-,27+,28+,29+,30-,34+,35-/m1/s1
SMILES CC(=O)OC[C@]12[C@H](OC(C)=O)[C@@H](OC(=O)c3cccnc3)[C@@H]3[C@H](OC(C)=O)[C@]1(OC3(C)C)[C@H](C)C[C@H](OC(=O)c1cccnc1)[C@@H]2OC(C)=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCelastraceaeTripterygium wilfordii Ref.
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