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CHEBI:198117 - Aspernigerin

ChEBI IDCHEBI:198117
ChEBI NameAspernigerin
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SubmitterMetaboLights
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FormulaC26H32N4O2
Net Charge0
Average Mass432.568
Monoisotopic Mass432.25253
SMILESO=C(CN1CCN(CC(=O)N2CCCc3ccccc32)CC1)N1CCCc2ccccc21
InChIInChI=1S/C26H32N4O2/c31-25(29-13-5-9-21-7-1-3-11-23(21)29)19-27-15-17-28(18-16-27)20-26(32)30-14-6-10-22-8-2-4-12-24(22)30/h1-4,7-8,11-12H,5-6,9-10,13-20H2
InChIKeyYGKRJEXYSRSPEU-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Aspergillus (ncbitaxon:5052) - PubMed (16555343)
ChEBI Ontology
Outgoing Relation(s)
Aspernigerin (CHEBI:198117) is a quinolines (CHEBI:26513)
IUPAC Name 
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]piperazin-1-yl]ethanone
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