Topopyrone a
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Formula: C18H9ClO7
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Molecular weight: 372.70
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Smiles: CC1=CC(=O)C2=C(C=C3C(=C2O1)C(=O)C4=C(C(=C(C=C4C3=O)O)Cl)O)O
Topopyrone a
Names
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Mycotoxin name: Topopyrone a
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First synonym: Topopyrone a
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Synonyms: Topopyrone A,10-chloro-5,9,11-trihydroxy-2-methyl-4H-naphtho[2,3-h]chromene-4,7,12-trione,CHEBI:66252,Q27134795
Identifiers / External links
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CAS: 262597-09-1
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PubChem CID: 9820848
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Wikidata (wiki): Q27134795
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Chemical Entities of Biological Interest (CHEBI): CHEBI:66252
Structure
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Smiles: CC1=CC(=O)C2=C(C=C3C(=C2O1)C(=O)C4=C(C(=C(C=C4C3=O)O)Cl)O)O
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Isomeric smiles: CC1=CC(=O)C2=C(C=C3C(=C2O1)C(=O)C4=C(C(=C(C=C4C3=O)O)Cl)O)O
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Inchi: InChI=1S/C18H9ClO7/c1-5-2-8(20)13-9(21)3-7-12(18(13)26-5)16(24)11-6(15(7)23)4-10(22)14(19)17(11)25/h2-4,21-22,25H,1H3
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Inchikey: KUCMIJRMIDNZCP-UHFFFAOYSA-N
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2D structure:
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3D structure:
Physico-chemical properties
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Formula: C18H9ClO7
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Molecular weight: 372.70
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Monoisotopic mass: 372.0036803
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Fungi
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Fungi id Species 1035 Phoma sp. BAUA2861