input word = C00061120

Metabolite InformationStructural formula
Name Wilfordinine G
Formula C36H43NO18
Mw 777.24801358
CAS RN 256938-01-9
C_ID C00061120
InChIKey CBYCPANLHVYVDK-UHFFFAOYSA-N
InChICode InChI=1S/C36H43NO18/c1-16(38)48-15-35-27(52-19(4)41)24(43)23-26(51-18(3)40)36(35)34(8,47)28(25(50-17(2)39)29(35)53-20(5)42)54-31(45)32(6,46)11-9-21-10-12-37-13-22(21)30(44)49-14-33(23,7)55-36/h10,12-13,23,25-29,46-47H,9,11,14-15H2,1-8H3/t23-,25+,26-,27-,28+,29+,32?,33+,34+,35-,36+/m1/s1
SMILES CC(=O)OCC12C(OC(C)=O)C(=O)C3C(OC(C)=O)C14OC3(C)COC(=O)c1cnccc1CCC(C)(O)C(=O)OC(C(OC(C)=O)C2OC(C)=O)C4(C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCelastraceaeTripterygium wilfordii Ref.
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