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Substance Name: Thaxtomine A
RN: 122380-18-1
InChIKey: QRDNJYNIEGRRKV-PGRDOPGGSA-N

Note

  • A phytotoxin produced by Streptomyces scabies.

Molecular Formula

  • C22-H22-N4-O6

Molecular Weight

  • 438.438
 
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Names and Synonyms

Name of Substance

  • Thaxtomine A

Synonym

  • Thaztomin A

Systematic Names

  • 2,5-Piperazinedione, 3-hydroxy-3-((3-hydroxyphenyl)methyl)-1,4-dimethyl-6-((4-nitro-1H-indol-3-yl)methyl)-, (3R,6S)-
  • 2,5-Piperazinedione, 3-hydroxy-3-((3-hydroxyphenyl)methyl)-1,4-dimethyl-6-((4-nitro-1H-indol-3-yl)methyl)-, (3R-trans)-

Registry Numbers

CAS Registry Number

  • 122380-18-1

System Generated Number

  • 0122380181

Structure Descriptors

InChI

1S/C22H22N4O6/c1-24-18(10-14-12-23-16-7-4-8-17(19(14)16)26(31)32)20(28)25(2)22(30,21(24)29)11-13-5-3-6-15(27)9-13/h3-9,12,18,23,27,30H,10-11H2,1-2H3/t18-,22+/m0/s1

InChIKey

QRDNJYNIEGRRKV-PGRDOPGGSA-N

Smiles

N1(C([C@@](N(C([C@@H]1Cc1c[nH]c2cccc(c12)[N+](=O)[O-])=O)C)(Cc1cc(ccc1)O)O)=O)C