input word = C00017179

Metabolite InformationStructural formula
Name Obelmycin E
Formula C40H53NO14
Mw 771.34660541
CAS RN 107826-17-5
C_ID C00017179 ,
InChIKey DEMGNRGNMQOOAO-SDDKZGRSNA-N
InChICode InChI=1S/C40H53NO14/c1-7-40(49)15-14-20-29(35(46)33-32(34(20)45)36(47)30-23(43)8-9-24(44)31(30)37(33)48)39(40)55-28-16-21(41(5)6)38(19(4)52-28)54-27-13-11-25(18(3)51-27)53-26-12-10-22(42)17(2)50-26/h8-9,17-19,21-22,25-28,38-39,42-46,49H,7,10-16H2,1-6H3/t17-,18-,19-,21+,22+,25+,26+,27+,28+,38+,39-,40-/m1/s1
SMILES [C@@]1(CCc2c([C@H]1O[C@@H]1O[C@@H]([C@H](O[C@@H]3O[C@@H]([C@@H](O[C@@H]4O[C@@H]([C@H](CC4)O)C)CC3)C)[C@H](C1)N(C)C)C)c(c1c(c2O)C(=O)c2c(C1=O)c(ccc2O)O)O)(O)CC
Start Substs in Alk. Biosynthesis (Prediction) L-Lys L-Arg Secologanin
Organism
Kingdom Family Species Reference
BacteriaStreptomycetaceaeStreptomyces violaceus Ref.
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OrganismStreptomyces violaceus
ReferenceJohdo,J.Antibiotics 44,(1991),1110