input word = C00013191

Metabolite InformationStructural formula
Name Wilforidine
(8R,9R,10R,11S,12S,13R,14R,15S,21S,22S,23R)-[partial]-10,13,22,23-Tetrakis(acetyloxy)-12-[(acetyloxy)methyl]-7,8,9,10,12,13,14,15,17,18,19,20-dodecahydro-14,18,21-trihydroxy-8,18,21-trimethyl-8,11-epoxy-9,12-ethano-11,15-methano-5H,11H-[1,9]dioxacyclooctadecino[4,3-b]pyridine-5,17-dione
Formula C36H45NO18
Mw 779.26366364
CAS RN 98618-76-9
C_ID C00013191 ,
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
PlantaeCelastraceaeMaytenus chiapensis Ref.
PlantaeCelastraceaeTripterygium wilfordii Ref.
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