14,20-Dideoxy-thaxtomin A (CHEBI:203237)

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CHEBI:203237 - 14,20-Dideoxy-thaxtomin A

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ChEBI ID	CHEBI:203237
ChEBI Name	14,20-Dideoxy-thaxtomin A
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C22H22N4O4
Net Charge	0
Average Mass	406.442
Monoisotopic Mass	406.16411
SMILES	CN1C(=O)[C@H](Cc2cnc3cccc([N+](=O)[O-])c23)N(C)C(=O)C1Cc1ccccc1
InChI	InChI=1S/C22H22N4O4/c1-24-18(11-14-7-4-3-5-8-14)21(27)25(2)19(22(24)28)12-15-13-23-16-9-6-10-17(20(15)16)26(29)30/h3-10,13,18-19,23H,11-12H2,1-2H3/t18?,19-/m0/s1
InChIKey	GJJXGBLNXDIHIQ-GGYWPGCISA-N

Species of Metabolite	Component	Source	Comments
Streptomyces scabiei (ncbitaxon:1930)	-	DOI (10.1021/jf00017a025)

ChEBI Ontology

Outgoing Relation(s)
	14,20-Dideoxy-thaxtomin A (CHEBI:203237) has functional parent α-amino acid (CHEBI:33704)
	14,20-Dideoxy-thaxtomin A (CHEBI:203237) is a organonitrogen compound (CHEBI:35352)
	14,20-Dideoxy-thaxtomin A (CHEBI:203237) is a organooxygen compound (CHEBI:36963)

IUPAC Name
(6S)-3-benzyl-1,4-dimethyl-6-[(4-nitro-1H-indol-3-yl)methyl]piperazine-2,5-dione

Manual Xrefs	Databases
78439654	ChemSpider