input word = C00017810

Metabolite InformationStructural formula
Name Clostomicin B2
Clostomycin B2
Lipiarmycin B 3
Tiacumicin C
Formula C52H74Cl2O18
Mw 1056.42522098
CAS RN 106008-70-2
C_ID C00017810 ,
InChIKey JFUVEKVTRJCUMZ-LQUNYSBHNA-N
InChICode InChI=1S/C52H74Cl2O18/c1-13-30-22-26(6)33(56)18-16-15-17-31(23-66-50-44(65-12)40(59)43(29(9)67-50)69-49(64)35-32(14-2)36(53)39(58)37(54)38(35)57)48(63)68-34(28(8)55)20-19-25(5)21-27(7)42(30)71-51-45(70-47(62)24(3)4)41(60)46(61)52(10,11)72-51/h15-17,19,21-22,24,28-30,33-34,40-46,50-51,55-61H,13-14,18,20,23H2,1-12H3/b16-15+,25-19+,26-22+,27-21+,31-17-/t28-,29-,30-,33-,34+,40-,41-,42+,43+,44+,45+,46+,50+,51-/m1/s1
SMILES [C@H]1(C(O[C@H]([C@H]([C@H]1O)OC(=O)C(C)C)O[C@@H]1[C@@H](/C=C(/[C@@H](C/C=C/C=C(\C(=O)O[C@@H](C/C=C(/C=C/1\C)\C)[C@@H](C)O)/CO[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)C)OC(=O)c1c(c(c(c(c1O)Cl)O)Cl)CC)O)OC)O)\C)CC)(C)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
BacteriaMicromonosporaceaeMicromonospora echinospora subsp. armeniaca subsp. nov. KMR-593 Ref.
--Dactylosporangium aurantiacum subsp. hamdenensis AB718C-41 Ref.
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OrganismDactylosporangium aurantiacum subsp. hamdenensis AB718C-41
ReferenceTheriault,J.Antibiotics,40,(1987),567