input word = C00041012

Metabolite InformationStructural formula
Name Hyponine C
Formula C43H49NO18
Mw 867.29496377
CAS RN 192998-84-8
C_ID C00041012 ,
InChIKey QTSHSSCCEATRIZ-UHFFFAOYNA-N
InChICode InChI=1S/C43H49NO18/c1-20-21(2)37(50)61-34-32(57-23(4)46)36(60-26(7)49)42(19-55-38(51)27-14-11-10-12-15-27)35(59-25(6)48)31(56-22(3)45)29-33(58-24(5)47)43(42,41(34,9)53)62-40(29,8)18-54-39(52)28-16-13-17-44-30(20)28/h10-17,20-21,29,31-36,53H,18-19H2,1-9H3/t20-,21-,29+,31+,32+,33+,34+,35+,36-,40+,41+,42-,43-/m0/s1
SMILES CC(=O)OC1C2C(OC(C)=O)C34OC2(C)COC(=O)c2cccnc2C(C)C(C)C(=O)OC(C(OC(C)=O)C(OC(C)=O)C3(COC(=O)c2ccccc2)C1OC(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.
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