Topopyrone b
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Formula: C18H9ClO7
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Molecular weight: 372.70
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Smiles: CC1=CC(=O)C2=C(O1)C=C3C(=C2O)C(=O)C4=C(C(=C(C=C4C3=O)O)Cl)O
Topopyrone b
Names
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Mycotoxin name: Topopyrone b
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First synonym: Topopyrone b
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Synonyms: Topopyrone B,8-chloro-5,7,9-trihydroxy-2-methyl-4H-naphtho[2,3-g]chromene-4,6,11-trione,CHEBI:66253,Q27134796
Identifiers / External links
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CAS: 262597-10-4
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PubChem CID: 9842462
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Wikidata (wiki): Q27134796
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Chemical Entities of Biological Interest (CHEBI): CHEBI:66253
Structure
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Smiles: CC1=CC(=O)C2=C(O1)C=C3C(=C2O)C(=O)C4=C(C(=C(C=C4C3=O)O)Cl)O
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Isomeric smiles: CC1=CC(=O)C2=C(O1)C=C3C(=C2O)C(=O)C4=C(C(=C(C=C4C3=O)O)Cl)O
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Inchi: InChI=1S/C18H9ClO7/c1-5-2-8(20)13-10(26-5)4-7-11(17(13)24)16(23)12-6(15(7)22)3-9(21)14(19)18(12)25/h2-4,21,24-25H,1H3
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Inchikey: XQMOGUIQWMFPBF-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