input word = C00043388

Metabolite InformationStructural formula
Name Chiapenine ES-III
Formula C39H43NO17
Mw 797.25309896
CAS RN 654670-30-1
C_ID C00043388 ,
InChIKey PYEORABUEAEFKO-UHFFFAOYNA-N
InChICode InChI=1S/C39H43NO17/c1-19(41)51-18-38-30(54-21(3)43)26(44)25-28(53-20(2)42)39(38)37(6,50)29(27(45)31(38)55-32(46)22-11-8-7-9-12-22)56-34(48)35(4,49)15-14-24-23(13-10-16-40-24)33(47)52-17-36(25,5)57-39/h7-13,16,25,27-31,45,49-50H,14-15,17-18H2,1-6H3/t25-,27-,28+,29-,30-,31+,35-,36-,37+,38-,39+/m0/s1
SMILES [C@H]1([C@H]2[C@]3(O[C@@]41[C@@]([C@H](C2=O)OC(=O)C)([C@@H]([C@H]([C@@H]([C@@]4(C)O)OC(=O)[C@@](CCc1c(C(=O)OC3)cccn1)(C)O)O)OC(=O)c1ccccc1)COC(=O)C)C)OC(=O)C
Start Substs in Alk. Biosynthesis (Prediction) L-Asp L-His
Organism
Kingdom Family Species Reference
PlantaeCelastraceaeMaytenus chiapensis Ref.
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