input word = C00039396

Metabolite InformationStructural formula
Name Hyponine E
Formula C45H48N2O19
Mw 920.28512737
CAS RN 226975-99-1
C_ID C00039396 ,
InChIKey JUGPABHNGYJSNS-UHFFFAOYNA-N
InChICode InChI=1S/C45H48N2O19/c1-21-22(2)38(52)65-35-33(60-24(4)49)37(62-26(6)51)44(20-58-23(3)48)36(61-25(5)50)32(63-39(53)27-11-9-14-46-17-27)30-34(64-40(54)28-13-16-57-18-28)45(44,43(35,8)56)66-42(30,7)19-59-41(55)29-12-10-15-47-31(21)29/h9-18,21-22,30,32-37,56H,19-20H2,1-8H3/t21-,22-,30-,32+,33-,34+,35-,36-,37-,42+,43+,44+,45+/m1/s1
SMILES CC(=O)OCC12C(OC(C)=O)C(OC(=O)c3cccnc3)C3C(OC(=O)c4ccoc4)C14OC3(C)COC(=O)c1cccnc1C(C)C(C)C(=O)OC(C(OC(C)=O)C2OC(C)=O)C4(C)O
Start Substs in Alk. Biosynthesis (Prediction) L-Asp IPP L-His
Organism
Kingdom Family Species Reference
PlantaeCelastraceaeTripterygium hypoglaucum Ref.
PlantaeCelastraceaeTripterygium wilfordii Ref.
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OrganismTripterygium wilfordii
Referencehttps://doi.org/10.1021/np990281s