Nigerloxin
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Formula: C13H15NO5
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Molecular weight: 265.26
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Smiles: CC=CC1=C(C(=C(C(=C1O)C(=O)N)C(=O)O)OC)C
Nigerloxin
Names
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Mycotoxin name: Nigerloxin
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First synonym: Nigerloxin
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Synonyms: Nigerloxin,CHEBI:133971,2-carbamoyl-3-hydroxy-6-methoxy-5-methyl-4-[(1E)-prop-1-en-1-yl]benzoic acid
Identifiers / External links
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CAS: 477935-15-2
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PubChem CID: 10378172
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ChemSpiderID: 8553615
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Chemical Entities of Biological Interest (CHEBI): CHEBI:133971
Structure
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Smiles: CC=CC1=C(C(=C(C(=C1O)C(=O)N)C(=O)O)OC)C
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Isomeric smiles: C/C=C/C1=C(C(=C(C(=C1O)C(=O)N)C(=O)O)OC)C
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Inchi: InChI=1S/C13H15NO5/c1-4-5-7-6(2)11(19-3)9(13(17)18)8(10(7)15)12(14)16/h4-5,15H,1-3H3,(H2,14,16)(H,17,18)/b5-4+
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Inchikey: UOIRNFVLBXIGKH-SNAWJCMRSA-N
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2D structure:
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3D structure:
Physico-chemical properties
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Formula: C13H15NO5
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Molecular weight: 265.26
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Monoisotopic mass: 265.09502258
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Fungi
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Fungi id Species 179 Aspergillus niger CFR-W-105