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CHEBI:214602 - 3,4-Dihydroxyphenyl-thaxtomin A

ChEBI IDCHEBI:214602
ChEBI Name3,4-Dihydroxyphenyl-thaxtomin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H22N4O7
Net Charge0
Average Mass454.439
Monoisotopic Mass454.14885
SMILESCN1C(=O)[C@](O)(Cc2ccc(O)c(O)c2)N(C)C(=O)[C@@H]1Cc1cnc2cccc([N+](=O)[O-])c12
InChIInChI=1S/C22H22N4O7/c1-24-16(9-13-11-23-14-4-3-5-15(19(13)14)26(32)33)20(29)25(2)22(31,21(24)30)10-12-6-7-17(27)18(28)8-12/h3-8,11,16,23,27-28,31H,9-10H2,1-2H3/t16-,22+/m0/s1
InChIKeyNJJFTPZLHKIMEF-KSFYIVLOSA-N
Species of MetaboliteComponentSourceComments
Streptomyces scabiei (ncbitaxon:1930) - DOI (10.1021/jf950243o)
ChEBI Ontology
Outgoing Relation(s)
3,4-Dihydroxyphenyl-thaxtomin A (CHEBI:214602) has functional parent α-amino acid (CHEBI:33704)
3,4-Dihydroxyphenyl-thaxtomin A (CHEBI:214602) is a organonitrogen compound (CHEBI:35352)
3,4-Dihydroxyphenyl-thaxtomin A (CHEBI:214602) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
(3R,6S)-3-[(3,4-dihydroxyphenyl)methyl]-3-hydroxy-1,4-dimethyl-6-[(4-nitro-1H-indol-3-yl)methyl]piperazine-2,5-dione
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