input word = C00001987

Metabolite InformationStructural formula
Name Wilfordin
Formula C43H49NO19
Mw 883.28987839
CAS RN 37239-51-3
C_ID C00001987 ,
InChIKey XQDBHSNYTFRCNJ-SBGDNDDBNA-N
InChICode InChI=1S/C43H49NO19/c1-21(45)55-20-42-34(59-24(4)48)30(57-22(2)46)29-32(58-23(3)47)43(42)41(8,54)33(31(35(42)60-25(5)49)61-36(50)26-13-10-9-11-14-26)62-38(52)39(6,53)17-16-28-27(15-12-18-44-28)37(51)56-19-40(29,7)63-43/h9-15,18,29-35,53-54H,16-17,19-20H2,1-8H3/t29-,30-,31+,32-,33+,34-,35+,39-,40+,41+,42-,43+/m1/s1
SMILES CC(=O)OC[C@]12[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]3[C@@H](OC(C)=O)[C@@]14O[C@@]3(C)COC(=O)c1cccnc1CCC(C)(O)C(=O)O[C@@H]([C@H](OC(=O)c1ccccc1)[C@@H]2OC(C)=O)[C@]4(C)O
Start Substs in Alk. Biosynthesis (Prediction) L-Asp L-His
Organism
Kingdom Family Species Reference
PlantaeCelastraceaeEuonymus alatus Ref.
PlantaeCelastraceaeMaytenus chiapensis Ref.
PlantaeCelastraceaeTripterygium hypoglaucum Hook.f. Ref.
PlantaeCelastraceaeTripterygium wilfordii Ref.
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OrganismTripterygium hypoglaucum Hook.f.
ReferenceLi,Phytochem.,50,(1999),1091