input word = C00051016

Metabolite InformationStructural formula
Name Isowilfortrine
Formula C41H47NO20
Mw 873.26914295
CAS RN 159028-40-7
C_ID C00051016
InChIKey AVGYGFTXSUAKEM-UHFFFAOYNA-N
InChICode InChI=1S/C41H47NO20/c1-18-25-10-12-42-14-26(25)35(49)55-16-37(7)27-28(56-20(3)44)32(58-22(5)46)40(17-54-19(2)43)33(59-23(6)47)29(60-34(48)24-11-13-53-15-24)31(61-36(50)38(18,8)51)39(9,52)41(40,62-37)30(27)57-21(4)45/h10-15,18,27-33,51-52H,16-17H2,1-9H3/t18?,27-,28-,29+,30-,31+,32-,33+,37+,38?,39+,40-,41+/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(=O)c1ccoc1)C2OC(C)=O)C4(C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCelastraceaeTripterygium wilfordii Ref.
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