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 [C@H]1([C@]23[C@]([C@H]4[C@H]([C@H]([C@@]2([C@@H]([C@H]([C@H]1[C@@](O3)(COC(=O)c1c(nccc1)[C@@H]([C@H](C(=O)O4)C)C)C)OC(=O)c1cnccc1)OC(=O)C)COC(=O)C)OC(=O)C)OC(=O)C)(O)C)OC(=O)c1cocc1
Start Substs in Alk. Biosynthesis (Prediction) L-Asp IPP L-His
Organism
Kingdom Family Species Reference
PlantaeCelastraceaeTripterygium hypoglaucum Ref.
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OrganismTripterygium hypoglaucum
ReferenceDuan,Phytochem.,52,(1999),1735