input word = C00043473

Metabolite InformationStructural formula
Name Ebenifoline E-I
Formula C41H47NO17
Mw 825.28439909
CAS RN 143439-10-5
C_ID C00043473 ,
InChIKey SACNWJXZRCLNCY-UHFFFAOYNA-N
InChICode InChI=1S/C41H47NO17/c1-19-20(2)35(48)57-32-29(47)33(58-36(49)25-13-10-9-11-14-25)40(18-52-21(3)43)34(56-24(6)46)30(54-22(4)44)27-31(55-23(5)45)41(40,39(32,8)51)59-38(27,7)17-53-37(50)26-15-12-16-42-28(19)26/h9-16,19-20,27,29-34,47,51H,17-18H2,1-8H3/t19-,20-,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)C)OC(=O)c1ccccc1)O)(C)O)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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