CHEBI:209098 - XR-335

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name XR-335
ChEBI ID CHEBI:209098
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C20H20N2O3
Net Charge 0
Average Mass 336.391
Monoisotopic Mass 336.14739
InChI InChI=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
InChIKey LNJXHMVOPQVJDF-XIDKLXSXSA-N
SMILES O=C/1N[C@H](C(=O)N(\C1=C/C2=CC=C(OC)C=C2)C)CC3=CC=CC=C3
Metabolite of Species Details
Streptomycesspecies (NCBI:txid1931) See: PubMed
ChEBI Ontology
Outgoing 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 Xref Database
8934626 ChemSpider
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