input word = C00018788

Metabolite InformationStructural formula
Name Neopluramycin
Formula C41H50N2O10
Mw 730.34654583
CAS RN 11081-47-3
C_ID C00018788 ,
InChIKey FGTVZROOHPSJNZ-UHFFFAOYNA-N
InChICode InChI=1S/C41H50N2O10/c1-12-18(2)28-16-27(45)31-19(3)13-25-33(39(31)53-28)38(49)34-32(37(25)48)23(29-15-26(42(8)9)35(46)20(4)50-29)14-24(36(34)47)30-17-41(7,43(10)11)40(21(5)51-30)52-22(6)44/h12-14,16,20-21,26,29-30,35,40,46-47H,15,17H2,1-11H3/b18-12+/t20-,21-,26+,29-,30+,35+,40-,41-/m1/s1
SMILES c1(cc(c2c(c1O)C(=O)c1c(C2=O)cc(c2c1oc(cc2=O)/C(=C/C)/C)C)[C@H]1C[C@@H]([C@H]([C@H](O1)C)O)N(C)C)[C@H]1O[C@@H]([C@H]([C@](C1)(C)N(C)C)OC(=O)C)C
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr
Organism
Kingdom Family Species Reference
BacteriaStreptomycetaceaeStreptomyces pluricolorescens MB760-MG1 Ref.
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