input word = C00046976

Metabolite InformationStructural formula
Name Wilfordinine A
Formula C36H45NO17
Mw 763.26874902
CAS RN 262599-02-0
C_ID C00046976 ,
InChIKey NZJBHDRNBSDTHF-UHFFFAOYNA-N
InChICode InChI=1S/C36H45NO17/c1-15-16(2)31(44)53-28-25(43)29(51-20(6)41)35(14-47-17(3)38)30(52-21(7)42)26(49-18(4)39)24-27(50-19(5)40)36(35,34(28,9)46)54-33(24,8)13-48-32(45)23-12-37-11-10-22(15)23/h10-12,15-16,24-30,43,46H,13-14H2,1-9H3/t15-,16-,24+,25-,26+,27-,28-,29+,30-,33-,34-,35+,36-/m0/s1
SMILES CC(=O)OCC12C(OC(C)=O)C(O)C3OC(=O)C(C)C(C)c4ccncc4C(=O)OCC4(C)OC1(C(OC(C)=O)C4C(OC(C)=O)C2OC(C)=O)C3(C)O
Start Substs in Alk. Biosynthesis (Prediction) L-Asp L-His
Organism
Kingdom Family Species Reference
PlantaeCelastraceaeTripterygium wilfordii Ref.
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