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CHEBI:213117 - Alternarizine B

ChEBI IDCHEBI:213117
ChEBI NameAlternarizine B
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SubmitterMetaboLights
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FormulaC25H30N2O4
Net Charge0
Average Mass422.525
Monoisotopic Mass422.22056
SMILESCOc1ccc(C[C@H]2C(=O)N[C@@H](Cc3ccc(OCC=C(C)C)cc3)C(=O)N2C)cc1
InChIInChI=1S/C25H30N2O4/c1-17(2)13-14-31-21-11-7-18(8-12-21)15-22-25(29)27(3)23(24(28)26-22)16-19-5-9-20(30-4)10-6-19/h5-13,22-23H,14-16H2,1-4H3,(H,26,28)/t22-,23-/m0/s1
InChIKeyJITDHMNQRKIKJY-GOTSBHOMSA-N
Species of MetaboliteComponentSourceComments
Alternaria alternata (ncbitaxon:5599) - DOI (10.1016/j.phytol.2015.10.024)
ChEBI Ontology
Outgoing Relation(s)
Alternarizine B (CHEBI:213117) has functional parent α-amino acid (CHEBI:33704)
Alternarizine B (CHEBI:213117) is a organonitrogen compound (CHEBI:35352)
Alternarizine B (CHEBI:213117) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
(3S,6S)-6-[(4-methoxyphenyl)methyl]-1-methyl-3-[[4-(3-methylbut-2-enoxy)phenyl]methyl]piperazine-2,5-dione
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