Penicidone B
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Formula: C17H15NO5
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Molecular weight: 313.30
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Smiles: CC=CC1=CC(=O)C(=CN1)C2C3=C(C=C(C=C3OC)O)C(=O)O2
Penicidone B
Names
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Mycotoxin name: Penicidone B
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First synonym: None
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Synonyms: Penicidone B,CHEBI:209556,1005327-88-7,5-[(1R)-5-hydroxy-7-methoxy-3-oxo-1H-2-benzouran-1-yl]-2-[(E)-prop-1-enyl]-1H-pyridin-4-one
Identifiers / External links
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CAS: 1005327-88-7
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PubChem CID: 24761001
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ChemSpiderID: 78439838
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Chemical Entities of Biological Interest (CHEBI): CHEBI:209556
Structure
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Smiles: CC=CC1=CC(=O)C(=CN1)C2C3=C(C=C(C=C3OC)O)C(=O)O2
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Isomeric smiles: C/C=C/C1=CC(=O)C(=CN1)[C@H]2C3=C(C=C(C=C3OC)O)C(=O)O2
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Inchi: InChI=1S/C17H15NO5/c1-3-4-9-5-13(20)12(8-18-9)16-15-11(17(21)23-16)6-10(19)7-14(15)22-2/h3-8,16,19H,1-2H3,(H,18,20)/b4-3+/t16-/m0/s1
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Inchikey: NVUHVZUPJHEJGT-CWDCEQMOSA-N
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2D structure:
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3D structure:
Physico-chemical properties
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Formula: C17H15NO5
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Molecular weight: 313.30
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Monoisotopic mass: 313.09502258
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Fungi
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Fungi id Species 954 Penicillium sp. IFB-E022