input word = C00028443

Metabolite InformationStructural formula
Name Laevisine A
Formula C41H51NO18
Mw 845.31061384
CAS RN 220383-11-9
C_ID C00028443 ,
InChIKey HNFOZXOCLKEAOY-LDADJPATNA-N
InChICode InChI=1S/C41H51NO18/c1-12-18(2)35(48)59-34-30(55-23(7)45)32-39(11,51)41-31(56-24(8)46)27(29(54-22(6)44)33(57-25(9)47)40(34,41)17-52-21(5)43)38(10,60-41)16-53-37(50)26-14-13-15-42-28(26)19(3)20(4)36(49)58-32/h12-15,19-20,27,29-34,51H,16-17H2,1-11H3/b18-12+/t19-,20-,27-,29-,30-,31-,32-,33-,34+,38+,39+,40-,41+/m1/s1
SMILES [C@H]1([C@@H]2[C@@]3(COC(=O)c4cccnc4[C@@H]([C@H](C(=O)O[C@@H]4[C@H]([C@@H]([C@@]([C@@H]([C@@H]2OC(=O)C)OC(=O)C)([C@]1([C@]4(O)C)O3)COC(=O)C)OC(=O)/C(=C/C)/C)OC(=O)C)C)C)C)OC(=O)C
Start Substs in Alk. Biosynthesis (Prediction) L-Asp L-His
Organism
Kingdom Family Species Reference
PlantaeCelastraceaeMaytenus laevis Ref.
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