input word = C00049045

Metabolite InformationStructural formula
Name Euojaponine I
Formula C42H48N2O18
Mw 868.29021275
CAS RN 133740-17-7
C_ID C00049045 ,
InChIKey ICJMGMIQWBNSNM-UHFFFAOYNA-N
InChICode InChI=1S/C42H48N2O18/c1-19-20(2)36(50)60-33-31(57-23(5)47)35(61-37(51)26-12-10-14-43-16-26)41(18-54-21(3)45)34(59-25(7)49)30(56-22(4)46)28-32(58-24(6)48)42(41,40(33,9)53)62-39(28,8)17-55-38(52)27-13-11-15-44-29(19)27/h10-16,19-20,28,30-35,53H,17-18H2,1-9H3/t19-,20+,28-,30-,31+,32-,33-,34+,35-,39+,40+,41+,42+/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@@](COC(=O)c1c([C@@H]([C@@H](C(=O)O4)C)C)nccc1)(C)O3)OC(=O)C)OC(=O)C)COC(=O)C)OC(=O)c1cnccc1)OC(=O)C)(C)O)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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OrganismMaytenus laevis
ReferencePiacente,J.Nat.Prod.,62,(1999),161