input word = C00017811

Metabolite InformationStructural formula
Name Clostomicin A
Clostomycin A
Tiacumicin F
Formula C52H74Cl2O18
Mw 1056.42522098
CAS RN 106008-69-9
C_ID C00017811 ,
InChIKey VYHICDMNVHVXOH-LQUNYSBHNA-N
InChICode InChI=1S/C52H74Cl2O18/c1-13-30-22-26(6)33(56)18-16-15-17-31(23-66-51-45(65-12)40(59)43(29(9)67-51)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)71-50-41(60)44(70-47(62)24(3)4)46(61)52(10,11)72-50/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 CCc1c(Cl)c(O)c(Cl)c(O)c1C(=O)OC1C(C)OC(OC/C2=C/C=C/CC(O)/C(C)=C/C(CC)C(OC3OC(C)(C)C(O)C(OC(=O)C(C)C)C3O)/C(C)=C/C(C)=C/CC(C(C)O)OC2=O)C(OC)C1O
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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