Aspernigrin a
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Formula: C13H12N2O2
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Molecular weight: 228.25
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Smiles: C1=CC=C(C=C1)CC2=CC(=O)C(=CN2)C(=O)N
Aspernigrin a
Names
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Mycotoxin name: Aspernigrin a
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First synonym: Aspernigrin a
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Synonyms: Aspernigrin A,6-Benzyl-4-oxo-1,4-dihydropyridine-3-carboxamide,6-benzyl-4-oxo-1H-pyridine-3-carboxamide,773855-60-0,CHEMBL3745791,DTXSID30471380,CHEBI:133846,ZINC13373646,MCULE-4171783966,2-Benzyl-4-oxo-1,4-dihydropyridine-5-carboxamide,(6-benzyl-4-oxo-1,4-dihydropyridin-3-yl)-carboxamide,NCGC00380293-01!6-benzyl-4-oxo-1H-pyridine-3-carboxamide
Identifiers / External links
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CAS: 773855-60-0
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PubChem CID: 11736320
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ChemSpiderID: 9622369
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ChEMBL: CHEMBL24993805,CHEMBL3745791
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Chemical Entities of Biological Interest (CHEBI): CHEBI:133846
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CompTox Chemicals Dashboard (DTXSID): DTXSID30471380
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SCHEMBL: SCHEMBL24993805
Structure
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Smiles: C1=CC=C(C=C1)CC2=CC(=O)C(=CN2)C(=O)N
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Isomeric smiles: C1=CC=C(C=C1)CC2=CC(=O)C(=CN2)C(=O)N
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Inchi: InChI=1S/C13H12N2O2/c14-13(17)11-8-15-10(7-12(11)16)6-9-4-2-1-3-5-9/h1-5,7-8H,6H2,(H2,14,17)(H,15,16)
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Inchikey: RUUZDCZRFRLJFC-UHFFFAOYSA-N
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2D structure:
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3D structure:
Physico-chemical properties
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Formula: C13H12N2O2
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Molecular weight: 228.25
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Monoisotopic mass: 228.08987763
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Fungi
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Fungi id Species 176 Aspergillus niger