input word = C00017859

Metabolite InformationStructural formula
Name Tiacumicin D
Formula C52H74Cl2O18
Mw 1056.42522098
CAS RN 109679-45-0
C_ID C00017859 ,
InChIKey GWWZJUQHOUTOLT-LQUNYSBHNA-N
InChICode InChI=1S/C52H74Cl2O18/c1-13-30-22-26(6)33(56)18-16-15-17-31(23-66-50-45(65-12)43(38(57)29(9)67-50)69-49(64)35-32(14-2)36(53)40(59)37(54)39(35)58)48(63)68-34(28(8)55)20-19-25(5)21-27(7)42(30)71-51-44(70-47(62)24(3)4)41(60)46(61)52(10,11)72-51/h15-17,19,21-22,24,28-30,33-34,38,41-46,50-51,55-61H,13-14,18,20,23H2,1-12H3/b16-15+,25-19+,26-22+,27-21+,31-17-/t28-,29+,30-,33+,34+,38+,41+,42+,43+,44+,45-,46-,50+,51-/m1/s1
SMILES CCc1c(Cl)c(O)c(Cl)c(O)c1C(=O)OC1C(O)C(C)OC(OC/C2=C/C=C/CC(O)/C(C)=C/C(CC)C(OC3OC(C)(C)C(O)C(O)C3OC(=O)C(C)C)/C(C)=C/C(C)=C/CC(C(C)O)OC2=O)C1OC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Dactylosporangium aurantiacum subsp. hamdenensis AB718C-41 Ref.
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OrganismDactylosporangium aurantiacum subsp. hamdenensis AB718C-41
ReferenceTheriault,J.Antibiotics,40,(1987),567