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Substance Name: Thaxtomine B
RN: 122380-19-2
InChIKey: PCCPGPMTZJOQFC-PGRDOPGGSA-N

Note

  • A phytotoxin produced by Streptomyces scabies.

Molecular Weight

  • 422.439
 
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Names and Synonyms

Name of Substance

  • Thaxtomine B

Synonym

  • Thaxtomin B

Systematic Names

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

Registry Numbers

CAS Registry Number

  • 122380-19-2

System Generated Number

  • 0122380192

Structure Descriptors

InChI

1S/C22H22N4O5/c1-24-18(11-15-13-23-16-9-6-10-17(19(15)16)26(30)31)20(27)25(2)22(29,21(24)28)12-14-7-4-3-5-8-14/h3-10,13,18,23,29H,11-12H2,1-2H3/t18-,22+/m0/s1

InChIKey

PCCPGPMTZJOQFC-PGRDOPGGSA-N

Smiles

N1(C([C@@](N(C([C@@H]1Cc1c[nH]c2cccc(c12)[N+](=O)[O-])=O)C)(Cc1ccccc1)O)=O)C