input word = C00017742

Metabolite InformationStructural formula
Name Chromoximycin
Chromoxymycin
Formula C49H60N4O14
Mw 928.41060266
CAS RN 101156-09-6
C_ID C00017742 ,
InChIKey MIEMDQVNFRNROW-UHFFFAOYNA-N
InChICode InChI=1S/C49H60N4O14/c1-20-15-26-37(44-35(20)30(54)18-33(66-44)49(6)46(67-49)43-22(3)65-43)38(27-11-12-28(53(27)62)47(61)50-14-13-34(55)56)39-36(42(26)59)24(31-17-29(51(7)8)40(57)21(2)63-31)16-25(41(39)58)32-19-48(5,52(9)10)45(60)23(4)64-32/h11-12,15-16,18,21-23,29,31-32,38,40,43,45-46,57-58,60,62H,13-14,17,19H2,1-10H3,(H,50,61)(H,55,56)/t21-,22-,23+,29-,31-,32+,38-,40+,43+,45+,46-,48+,49+/m0/s1
SMILES c1(cc(c2c(c1O)[C@H](c1c(C2=O)cc(c2c1oc(cc2=O)[C@]1(C)[C@@H](O1)[C@H]1[C@@H](O1)C)C)c1ccc(n1O)C(=O)NCCC(=O)O)[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)O)C
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr
Organism
Kingdom Family Species Reference
BacteriaStreptomycetaceaeStreptomyces libani subsp. rubropurpureus subsp. nov. Ref.
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