input word = C00027888

Metabolite InformationStructural formula
Name Aquifoliunine E-II
Formula C34H43NO16
Mw 721.25818434
CAS RN 210166-84-0
C_ID C00027888 ,
InChIKey SHDBRMQJPSDFRT-UHFFFAOYNA-N
InChICode InChI=1S/C34H43NO16/c1-14-15(2)29(42)50-26-24(41)28(49-19(6)39)33(13-45-16(3)36)27(48-18(5)38)23(40)21-25(47-17(4)37)34(33,32(26,8)44)51-31(21,7)12-46-30(43)20-10-9-11-35-22(14)20/h9-11,14-15,21,23-28,40-41,44H,12-13H2,1-8H3/t14-,15-,21-,23-,24+,25-,26-,27-,28-,31-,32-,33-,34+/m1/s1
SMILES O(C(=O)C)[C@@H]1[C@@H]2[C@]3(COC(=O)c4c(nccc4)[C@@H]([C@H](C(=O)O[C@@H]4[C@@H]([C@H]([C@@]([C@@H]([C@@H]2O)OC(=O)C)([C@@]1(O3)[C@]4(C)O)COC(=O)C)OC(=O)C)O)C)C)C
Start Substs in Alk. Biosynthesis (Prediction) L-Asp L-His
Organism
Kingdom Family Species Reference
PlantaeCelastraceaeMaytenus aquifolium Ref.
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