input word = C00018322

Metabolite InformationStructural formula
Name Antibiotic X 14766A
Formula C43H63ClO14
Mw 838.39063443
CAS RN 75217-55-9
C_ID C00018322 ,
InChIKey NZHCPUBOSWFGNA-JXRZEFJINA-N
InChICode InChI=1S/C43H63ClO14/c1-12-54-40(52)37-28(45)18-30(55-37)41(10)38(53-11)26(9)43(57-41)29(46)13-14-42(58-43)23(6)16-22(5)36(56-42)25(8)35(49)24(7)33(47)20(3)15-19(2)31-27(44)17-21(4)34(48)32(31)39(50)51/h13-14,17,19-20,22-26,28-30,33,36-38,45-48H,12,15-16,18H2,1-11H3,(H,50,51)/t19-,20+,22-,23+,24-,25-,26+,28+,29+,30+,33-,36-,37-,38+,41-,42-,43-/m0/s1
SMILES CCOC(=O)[C@H]1O[C@@H]([C@@]2(C)O[C@]3(O[C@]4(C=C[C@H]3O)O[C@H]([C@@H](C)C(=O)[C@@H](C)[C@@H](O)[C@H](C)C[C@H](C)c3c(Cl)cc(C)c(O)c3C(=O)O)[C@@H](C)C[C@H]4C)[C@H](C)[C@H]2OC)C[C@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
BacteriaStreptomycetaceaeStreptomyces malachitofuscus subsp. downeyi X-14766 (ATCC 31547) Ref.
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