Demethylkotanin
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Formula: C23H20O8
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Molecular weight: 424.40
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Smiles: CC1=CC(=C(C2=C1C(=CC(=O)O2)OC)C3=C(C=C(C4=C3OC(=O)C=C4OC)C)OC)O
Demethylkotanin
Names
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Mycotoxin name: Demethylkotanin
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First synonym: Demethylkotanin
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Synonyms: demethylkotanin,desmethylkotanin,CHEBI:64465,8-(4,7-dimethoxy-5-methyl-2-oxochromen-8-yl)-7-hydroxy-4-methoxy-5-methylchromen-2-one,27909-10-0,7-hydroxy-4,4',7'-trimethoxy-5,5'-dimethyl-2H,2'H-8,8'-bichromene-2,2'-dione,CHEMBL518901,Q22984477
Identifiers / External links
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CAS: 27909-10-0
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PubChem CID: 44593365
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ChemSpiderID: 23327155
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ChEMBL: CHEMBL518901
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Wikidata (wiki): Q22984477
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Chemical Entities of Biological Interest (CHEBI): CHEBI:64465
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CompTox Chemicals Dashboard (DTXSID): DTXSID501132005
Structure
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Smiles: CC1=CC(=C(C2=C1C(=CC(=O)O2)OC)C3=C(C=C(C4=C3OC(=O)C=C4OC)C)OC)O
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Isomeric smiles: CC1=CC(=C(C2=C1C(=CC(=O)O2)OC)C3=C(C=C(C4=C3OC(=O)C=C4OC)C)OC)O
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Inchi: InChI=1S/C23H20O8/c1-10-6-12(24)20(22-18(10)14(28-4)8-16(25)30-22)21-13(27-3)7-11(2)19-15(29-5)9-17(26)31-23(19)21/h6-9,24H,1-5H3
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Inchikey: WNAATGJTLYDMRY-UHFFFAOYSA-N
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2D structure:
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3D structure:
Physico-chemical properties
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Formula: C23H20O8
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Molecular weight: 424.40
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Monoisotopic mass: 424.11581759
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Fungi
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Fungi id Species 176 Aspergillus niger