dichlorodiaporthin
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Formula: C13H12Cl2O5
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Molecular weight: 319.13
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Smiles: COC1=CC(=C2C(=C1)C=C(OC2=O)CC(C(Cl)Cl)O)O
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Type: Isocoumarin D
dichlorodiaporthin
Names
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Mycotoxin name: dichlorodiaporthin
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First synonym: None
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Synonyms: Dichlorodiaportin,Dichlorodiaporthin,CHEMBL4165254,CHEBI:200758,3-[(2R)-3,3-dichloro-2-hydroxypropyl]-8-hydroxy-6-methoxyisochromen-1-one,AKOS040739592,3-[(R)-3,3-Dichloro-2-hydroxypropyl]-8-hydroxy-6-methoxy-\ 1H-isochromen-1-one
Identifiers / External links
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PubChem CID: 5324333
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ChEMBL: CHEMBL4165254
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Chemical Entities of Biological Interest (CHEBI): CHEBI:200758
Structure
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Smiles: COC1=CC(=C2C(=C1)C=C(OC2=O)CC(C(Cl)Cl)O)O
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Isomeric smiles: COC1=CC(=C2C(=C1)C=C(OC2=O)C[C@H](C(Cl)Cl)O)O
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Inchi: InChI=1S/C13H12Cl2O5/c1-19-7-2-6-3-8(5-10(17)12(14)15)20-13(18)11(6)9(16)4-7/h2-4,10,12,16-17H,5H2,1H3/t10-/m1/s1
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Inchikey: RCUFLECOBNVNRE-SNVBAGLBSA-N
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2D structure:
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3D structure:
Physico-chemical properties
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Formula: C13H12Cl2O5
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Molecular weight: 319.13
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Monoisotopic mass: 318.0061789
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Fungi
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Fungi id Species 865 Penicillium nalgiovense