input word = C00041011

Metabolite InformationStructural formula
Name Hyponine B
Formula C41H47NO19
Mw 857.27422833
CAS RN 192998-73-5
C_ID C00041011 ,
InChIKey LLRPKNRXKNCMJG-UHFFFAOYNA-N
InChICode InChI=1S/C41H47NO19/c1-18-19(2)35(48)60-32-30(56-21(4)44)34(59-24(7)47)40(17-54-37(50)26-13-11-15-52-26)33(58-23(6)46)29(55-20(3)43)27-31(57-22(5)45)41(40,39(32,9)51)61-38(27,8)16-53-36(49)25-12-10-14-42-28(18)25/h10-15,18-19,27,29-34,51H,16-17H2,1-9H3/t18-,19+,27-,29-,30-,31-,32+,33+,34+,38-,39-,40+,41+/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)c1occc1)OC(=O)C)OC(=O)C)(C)O)OC(=O)C
Start Substs in Alk. Biosynthesis (Prediction) L-Asp L-His
Organism
Kingdom Family Species Reference
PlantaeCelastraceaeTripterygium hypoglaucum Hook.f. Ref.
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OrganismTripterygium hypoglaucum Hook.f.
ReferenceDuan,Phytochem.,49,(1998),2185