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Substance Name: Daunomycinone S
RN: 80930-61-6
InChIKey: MRYGUWQBHYEANU-UHFFFAOYSA-N

Classification Code

  • Mutation Data

Molecular Formula

  • C35-H43-N-O13

Molecular Weight

  • 685.719
 
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Names and Synonyms

Results Name

  • Daunomycinone S

Synonyms

  • 7-O-(O-(2-Deoxy-alpha-L-fucosyl)-(1-4)-alpha-L-rhodosaminyl)daunomycinone
  • Daunomycinone-S

Systematic Name

  • 5,12-Naphthacenedione, 7,8,9,10-tetrahydro-8-acetyl-1-methoxy-10-((2,3,6-trideoxy-4-O-(2,6-dideoxy-alpha-L-lyxo-hexopyranosyl)-3-(dimethylamino)-alpha-L-lyxo-hexopyranosyl)oxy)-6,8,11-trihydroxy-, (8S-cis)-

Registry Numbers

CAS Registry Number

  • 80930-61-6

System Generated Number

  • 0080930616

Structure Descriptors

InChI

1S/C35H43NO13/c1-14-29(39)20(38)11-24(46-14)49-34-15(2)47-23(10-19(34)36(4)5)48-22-13-35(44,16(3)37)12-18-26(22)33(43)28-27(31(18)41)30(40)17-8-7-9-21(45-6)25(17)32(28)42/h7-9,14-15,19-20,22-24,29,34,38-39,41,43-44H,10-13H2,1-6H3

InChIKey

MRYGUWQBHYEANU-UHFFFAOYSA-N

Smiles

C1[C@@H]([C@@H]([C@@H](O[C@@H]1O[C@@H]1[C@@H](C[C@@H](O[C@@H]1C)O[C@@H]1c2c(c3c(c(c2C[C@@](C1)(O)C(C)=O)O)C(=O)c1cccc(OC)c1C3=O)O)N(C)C)C)O)O