input word = C00039395

Metabolite InformationStructural formula
Name Hyponine D
Formula C47H50N2O18
Mw 930.30586281
CAS RN 259823-31-9
C_ID C00039395 ,
InChIKey BDKQPFFHSCFTQW-UHFFFAOYNA-N
InChICode InChI=1S/C47H50N2O18/c1-23-24(2)40(54)66-37-35(64-42(56)30-16-12-18-48-20-30)39(63-28(6)53)46(22-59-25(3)50)38(62-27(5)52)34(61-26(4)51)32-36(65-41(55)29-14-10-9-11-15-29)47(46,45(37,8)58)67-44(32,7)21-60-43(57)31-17-13-19-49-33(23)31/h9-20,23-24,32,34-39,58H,21-22H2,1-8H3/t23-,24-,32+,34-,35-,36-,37-,38+,39+,44+,45+,46+,47-/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)C)OC(=O)C)COC(=O)C)OC(=O)C)OC(=O)c1cccnc1)(O)C)OC(=O)c1ccccc1
Start Substs in Alk. Biosynthesis (Prediction) L-Asp L-His
Organism
Kingdom Family Species Reference
PlantaeCelastraceaeTripterygium hypoglaucum Ref.
PlantaeCelastraceaeTripterygium wilfordii Ref.
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OrganismTripterygium hypoglaucum
ReferenceDuan,Phytochem.,52,(1999),1735