input word = C00041944

Metabolite InformationStructural formula
Name Tripfordine A
Formula C36H45NO18
Mw 779.26366364
CAS RN 911306-25-7
C_ID C00041944 ,
InChIKey YISOUQSWAUFAAP-UHFFFAOYNA-N
InChICode InChI=1S/C36H45NO18/c1-16(38)48-15-35-28(52-19(4)41)24(43)27-34(8,47)36(35)26(51-18(3)40)23(25(50-17(2)39)29(35)53-20(5)42)33(7,55-36)14-49-30(44)21-10-9-13-37-22(21)11-12-32(6,46)31(45)54-27/h9-10,13,23-29,43,46-47H,11-12,14-15H2,1-8H3/t23-,24+,25+,26+,27-,28+,29-,32-,33+,34+,35+,36+/m1/s1
SMILES CC(=O)OCC12C(OC(C)=O)C(O)C3OC(=O)C(C)(O)CCc4ncccc4C(=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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OrganismTripterygium wilfordii
ReferenceHoriuch,J.Nat.Prod.,69,(2006),1271