input word = C00041010

Metabolite InformationStructural formula
Name Hyponine A
Formula C41H47NO19
Mw 857.27422833
CAS RN 192998-39-3
C_ID C00041010 ,
InChIKey SVQKBYJINGPBHL-UHFFFAOYNA-N
InChICode InChI=1S/C41H47NO19/c1-18-19(2)35(48)60-32-30(56-22(5)45)34(58-24(7)47)40(17-53-20(3)43)33(57-23(6)46)29(55-21(4)44)27-31(59-37(50)26-13-11-15-52-26)41(40,39(32,9)51)61-38(27,8)16-54-36(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 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(C)=O)C4(C)O
Start Substs in Alk. Biosynthesis (Prediction) L-Asp L-His
Organism
Kingdom Family Species Reference
PlantaeCelastraceaeTripterygium hypoglaucum Hook.f. Ref.
PlantaeCelastraceaeTripterygium wilfordii Ref.
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