input word = C00018202

Metabolite InformationStructural formula
Name Rubradirin B
Formula C40H33N3O15
Mw 795.19116741
CAS RN 68833-11-4
C_ID C00018202 ,
InChIKey ZSKMTRIUAGAHRS-GXDHUFHONA-N
InChICode InChI=1S/C40H33N3O15/c1-14-10-16(3)34(33(50)36(51)40(4)13-41-26-31(48)19-11-15(2)29(46)24(28(14)45)23(19)32(49)35(26)58-40)57-38(53)25-21(44)9-8-20(42-25)37(52)43-27-30(47)18-7-6-17(55-5)12-22(18)56-39(27)54/h6-12,16,33-34,41,44,46-47,50H,13H2,1-5H3,(H,43,52)/b14-10+/t16-,33+,34-,40-/m0/s1
SMILES c1(NC(=O)c2nc(c(cc2)O)C(=O)O[C@H]2[C@H](/C=C(/C(=O)c3c4c(cc(c3O)C)C(=O)C3=C(C4=O)O[C@@](CN3)(C(=O)[C@@H]2O)C)\C)C)c(c2c(cc(cc2)OC)oc1=O)O
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr
Organism
Kingdom Family Species Reference
BacteriaStreptomycetaceaeStreptomyces achromogenes subsp. rubradiris Ref.
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