Penicidone A
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Formula: C18H17NO5
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Molecular weight: 327.30
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Smiles: CC=CC1=CC(=O)C(=CN1)C2C3=C(C=C(C=C3OC)OC)C(=O)O2
Penicidone A
Names
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Mycotoxin name: Penicidone A
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First synonym: None
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Synonyms: Penicidone A,CHEBI:211367,5-[(1R)-5,7-dimethoxy-3-oxo-1H-2-benzouran-1-yl]-2-[(E)-prop-1-enyl]-1H-pyridin-4-one,(r,e)-5-(5,7-dimethoxy-3-oxo-1,3-dihydroisobenzofuran-1-yl)2-(prop-1-enyl)pyridin-4(1h)-one
Identifiers / External links
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PubChem CID: 24761000
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ChemSpiderID: 28284877
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Chemical Entities of Biological Interest (CHEBI): CHEBI:211367
Structure
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Smiles: CC=CC1=CC(=O)C(=CN1)C2C3=C(C=C(C=C3OC)OC)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)OC)C(=O)O2
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Inchi: InChI=1S/C18H17NO5/c1-4-5-10-6-14(20)13(9-19-10)17-16-12(18(21)24-17)7-11(22-2)8-15(16)23-3/h4-9,17H,1-3H3,(H,19,20)/b5-4+/t17-/m0/s1
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Inchikey: VHRYRCYSKWAFFV-BDUNBXCCSA-N
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2D structure:
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3D structure:
Physico-chemical properties
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Formula: C18H17NO5
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Molecular weight: 327.30
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Monoisotopic mass: 327.11067264
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Fungi
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Fungi id Species 954 Penicillium sp. IFB-E022