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 CC[C@@]1(O)CCc2c(O)c3c(c(O)c2C1O[C@H]1CC(N(C)C)C(OC2CCC(OC4CCC(O)C(C)O4)C(C)O2)C(C)O1)C(=O)c1c(O)ccc(O)c1C3=O
Start Substs in Alk. Biosynthesis (Prediction) L-Lys L-Arg Secologanin
Organism
Kingdom Family Species Reference
BacteriaStreptomycetaceaeStreptomyces violaceus Ref.
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