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CHEBI:206514 - 15-De-N-methyl-thaxtomin A

ChEBI IDCHEBI:206514
ChEBI Name15-De-N-methyl-thaxtomin A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC21H20N4O6
Net Charge0
Average Mass424.413
Monoisotopic Mass424.13828
SMILESCN1C(=O)[C@](O)(Cc2cccc(O)c2)NC(=O)[C@@H]1Cc1cnc2cccc([N+](=O)[O-])c12
InChIInChI=1S/C21H20N4O6/c1-24-17(9-13-11-22-15-6-3-7-16(18(13)15)25(30)31)19(27)23-21(29,20(24)28)10-12-4-2-5-14(26)8-12/h2-8,11,17,22,26,29H,9-10H2,1H3,(H,23,27)/t17-,21+/m0/s1
InChIKeyCTMDCUWGMQXPQQ-LAUBAEHRSA-N
Species of MetaboliteComponentSourceComments
Streptomyces scabiei (ncbitaxon:1930) - DOI (10.1021/jf950243o)
ChEBI Ontology
Outgoing Relation(s)
15-De-N-methyl-thaxtomin A (CHEBI:206514) has functional parent α-amino acid (CHEBI:33704)
15-De-N-methyl-thaxtomin A (CHEBI:206514) is a organonitrogen compound (CHEBI:35352)
15-De-N-methyl-thaxtomin A (CHEBI:206514) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
(3R,6S)-3-hydroxy-3-[(3-hydroxyphenyl)methyl]-1-methyl-6-[(4-nitro-1H-indol-3-yl)methyl]piperazine-2,5-dione
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