Quinocitrinine b
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Formula: C16H19N2O2+
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Molecular weight: 271.33
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Smiles: CCC(C)C1C2=C(C=C3C=CC(=CC3=[N+]2C)O)C(=O)N1
Quinocitrinine b
Names
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Mycotoxin name: Quinocitrinine b
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First synonym: Quinocitrinine b
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Synonyms: Quinocitrinine B,(3R)-3-[(1S)-1-Methylpropyl]-4-methyl-6-hydroxy-4-azonia-2,3-dihydro-1H-pyrrolo[3,4-b]quinoline-1-one
Identifiers / External links
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CAS: 630119-04-9
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PubChem CID: 11747679
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Chemical Entities of Biological Interest (CHEBI): CHEBI:207099
Structure
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Smiles: CCC(C)C1C2=C(C=C3C=CC(=CC3=[N+]2C)O)C(=O)N1
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Isomeric smiles: CC[C@H](C)[C@@H]1C2=C(C=C3C=CC(=CC3=[N+]2C)O)C(=O)N1
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Inchi: InChI=1S/C16H18N2O2/c1-4-9(2)14-15-12(16(20)17-14)7-10-5-6-11(19)8-13(10)18(15)3/h5-9,14H,4H2,1-3H3,(H,17,20)/p+1/t9-,14+/m0/s1
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Inchikey: GTNBOKIWQUJZFH-LKFCYVNXSA-O
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2D structure:
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3D structure:
Physico-chemical properties
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Formula: C16H19N2O2+
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Molecular weight: 271.33
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Monoisotopic mass: 271.144652853
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Fungi
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Fungi id Species 775 Penicillium citrinum Thom 1910