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CHEBI:213874 - Alternarizine A

ChEBI IDCHEBI:213874
ChEBI NameAlternarizine A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC24H28N2O3
Net Charge0
Average Mass392.499
Monoisotopic Mass392.20999
SMILESCC(C)=CCOc1ccc(C[C@@H]2NC(=O)[C@H](Cc3ccccc3)N(C)C2=O)cc1
InChIInChI=1S/C24H28N2O3/c1-17(2)13-14-29-20-11-9-19(10-12-20)15-21-24(28)26(3)22(23(27)25-21)16-18-7-5-4-6-8-18/h4-13,21-22H,14-16H2,1-3H3,(H,25,27)/t21-,22-/m0/s1
InChIKeyHPWYMFOCBYZVLU-VXKWHMMOSA-N
Species of MetaboliteComponentSourceComments
Alternaria alternata (ncbitaxon:5599) - DOI (10.1016/j.phytol.2015.10.024)
ChEBI Ontology
Outgoing Relation(s)
Alternarizine A (CHEBI:213874) has functional parent α-amino acid (CHEBI:33704)
Alternarizine A (CHEBI:213874) is a organonitrogen compound (CHEBI:35352)
Alternarizine A (CHEBI:213874) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
(3S,6S)-6-benzyl-1-methyl-3-[[4-(3-methylbut-2-enoxy)phenyl]methyl]piperazine-2,5-dione
Manual XrefsDatabases
78443398ChemSpider