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CHEBI:209098 - XR-335

ChEBI IDCHEBI:209098
ChEBI NameXR-335
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SubmitterMetaboLights
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FormulaC20H20N2O3
Net Charge0
Average Mass336.391
Monoisotopic Mass336.14739
SMILESCOc1ccc(/C=C2/C(=O)N[C@@H](Cc3ccccc3)C(=O)N2C)cc1
InChIInChI=1S/C20H20N2O3/c1-22-18(13-15-8-10-16(25-2)11-9-15)19(23)21-17(20(22)24)12-14-6-4-3-5-7-14/h3-11,13,17H,12H2,1-2H3,(H,21,23)/b18-13-/t17-/m0/s1
InChIKeyLNJXHMVOPQVJDF-XIDKLXSXSA-N
Species of MetaboliteComponentSourceComments
Streptomycesspecies (ncbitaxon:1931) - PubMed (8968395)
ChEBI Ontology
Outgoing Relation(s)
XR-335 (CHEBI:209098) has functional parent α-amino acid (CHEBI:33704)
XR-335 (CHEBI:209098) is a organonitrogen compound (CHEBI:35352)
XR-335 (CHEBI:209098) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
(6Z)-3-benzyl-6-[(4-methoxyphenyl)methylidene]-1-methylpiperazine-2,5-dione
Manual XrefsDatabases
8934626ChemSpider