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CHEBI:217630 - Thaxtomin C

ChEBI IDCHEBI:217630
ChEBI NameThaxtomin C
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SubmitterMetaboLights
DownloadsMolfile
FormulaC21H20N4O4
Net Charge0
Average Mass392.415
Monoisotopic Mass392.14846
SMILESCN1C(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]1Cc1cnc2cccc([N+](=O)[O-])c12
InChIInChI=1S/C21H20N4O4/c1-24-18(11-14-12-22-15-8-5-9-17(19(14)15)25(28)29)20(26)23-16(21(24)27)10-13-6-3-2-4-7-13/h2-9,12,16,18,22H,10-11H2,1H3,(H,23,26)/t16-,18-/m0/s1
InChIKeyIAIWBAHUWORDTI-WMZOPIPTSA-N
Species of MetaboliteComponentSourceComments
Streptomyces scabiei (ncbitaxon:1930) - DOI (10.1021/jf00017a025)
ChEBI Ontology
Outgoing Relation(s)
Thaxtomin C (CHEBI:217630) has functional parent α-amino acid (CHEBI:33704)
Thaxtomin C (CHEBI:217630) is a organonitrogen compound (CHEBI:35352)
Thaxtomin C (CHEBI:217630) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
(3S,6S)-3-benzyl-1-methyl-6-[(4-nitro-1H-indol-3-yl)methyl]piperazine-2,5-dione
Manual XrefsDatabases
9276392ChemSpider