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Substance Name: Setamycin
RN: 80112-34-1
InChIKey: KFUFLYSBMNNJTF-MZYUNMTESA-N

Note

  • From acinomycetes strain KM-6054.

Molecular Weight

  • 815.992
 
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Names and Synonyms

Name of Substance

  • Setamycin

Systematic Name

  • Setamycin

Registry Numbers

CAS Registry Number

  • 80112-34-1

System Generated Number

  • 0080112341

Structure Descriptors

InChI

1S/C44H65NO13/c1-23(2)41-28(7)35(56-37(49)18-17-36(48)45-38-31(46)15-16-32(38)47)22-44(53,58-41)30(9)40(51)29(8)42-33(54-10)14-12-13-24(3)19-26(5)39(50)27(6)20-25(4)21-34(55-11)43(52)57-42/h12-14,17-18,20-21,23,26-30,33,35,39-42,46,50-51,53H,15-16,19,22H2,1-11H3,(H,45,48)/b14-12-,18-17+,24-13-,25-20-,34-21+/t26-,27+,28-,29-,30-,33-,35+,39-,40+,41+,42?,44+/m0/s1

InChIKey

KFUFLYSBMNNJTF-MZYUNMTESA-N

Smiles

C(\C=C\C(=O)NC1=C(CCC1=O)O)(=O)O[C@@H]1C[C@@](O[C@@H]([C@H]1C)C(C)C)([C@H]([C@@H]([C@H](C)[C@@H]1OC(C(=CC(=C[C@H]([C@H]([C@H](CC(=CC=C[C@@H]1OC)C)C)O)C)C)OC)=O)O)C)O