input word = C00056277

Metabolite InformationStructural formula
Name Wilfornine H
Formula C44H47NO20
Mw 909.26914295
CAS RN 1239965-99-1
C_ID C00056277
InChIKey CSPVVIVBMHRXPF-UHFFFAOYSA-N
InChICode InChI=1S/C44H47NO20/c1-20-21(2)37(50)63-34-32(60-24(5)48)36(64-40(53)28-14-11-17-56-28)43(19-57-22(3)46)35(61-25(6)49)31(59-23(4)47)29-33(62-39(52)27-13-10-16-55-27)44(43,42(34,8)54)65-41(29,7)18-58-38(51)26-12-9-15-45-30(20)26/h9-17,20-21,29,31-36,54H,18-19H2,1-8H3
SMILES CC(=O)OCC12C(OC(C)=O)C(OC(C)=O)C3C(OC(=O)c4ccco4)C14OC3(C)COC(=O)c1cccnc1C(C)C(C)C(=O)OC(C(OC(C)=O)C2OC(=O)c1ccco1)C4(C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCelastraceaeTripterygium wilfordii Ref.
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