input word = C00046977

Metabolite InformationStructural formula
Name Wilfordinine B
Formula C38H47NO19
Mw 821.27422833
CAS RN 262599-03-1
C_ID C00046977 ,
InChIKey GGYHKBFLZJPIPM-UHFFFAOYNA-N
InChICode InChI=1S/C38H47NO19/c1-16-23-11-12-39-13-24(23)32(46)51-14-34(8)25-26(52-18(3)41)30(55-21(6)44)37(15-50-17(2)40)31(56-22(7)45)27(53-19(4)42)29(57-33(47)35(16,9)48)36(10,49)38(37,58-34)28(25)54-20(5)43/h11-13,16,25-31,48-49H,14-15H2,1-10H3/t16-,25-,26+,27+,28+,29-,30-,31+,34+,35+,36-,37-,38+/m1/s1
SMILES CC(=O)OCC12C(OC(C)=O)C(OC(C)=O)C3C(OC(C)=O)C14OC3(C)COC(=O)c1cnccc1C(C)C(C)(O)C(=O)OC(C(OC(C)=O)C2OC(C)=O)C4(C)O
Start Substs in Alk. Biosynthesis (Prediction) L-Asp L-His
Organism
Kingdom Family Species Reference
PlantaeCelastraceaeTripterygium wilfordii Ref.
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