Cottoquinazoline a
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Formula: C23H19N5O4
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Molecular weight: 429.40
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Smiles: CC1C(=O)N2C3N1C4C5=NC6=CC=CC=C6C(=O)N5C(CC3(C7=CC=CC=C72)O)C(=O)N4
Cottoquinazoline a
Names
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Mycotoxin name: Cottoquinazoline a
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First synonym: Cottoquinazoline a
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Synonyms: Cottoquinazoline A
Identifiers / External links
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CAS: 1134164-55-8
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PubChem CID: 42638628
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ChemSpiderID: 27024093
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Chemical Entities of Biological Interest (CHEBI): CHEBI:207462
Structure
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Smiles: CC1C(=O)N2C3N1C4C5=NC6=CC=CC=C6C(=O)N5C(CC3(C7=CC=CC=C72)O)C(=O)N4
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Isomeric smiles: C[C@H]1C(=O)N2[C@@H]3N1C4C5=NC6=CC=CC=C6C(=O)N5C(C[C@]3(C7=CC=CC=C72)O)C(=O)N4
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Inchi: InChI=1S/C23H19N5O4/c1-11-20(30)28-15-9-5-3-7-13(15)23(32)10-16-19(29)25-18(26(11)22(23)28)17-24-14-8-4-2-6-12(14)21(31)27(16)17/h2-9,11,16,18,22,32H,10H2,1H3,(H,25,29)/t11-,16?,18?,22-,23+/m0/s1
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Inchikey: MLDFAXSXLVAFNZ-XJALIBQBSA-N
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2D structure:
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3D structure:
Physico-chemical properties
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Formula: C23H19N5O4
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Molecular weight: 429.40
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Monoisotopic mass: 429.1437041
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Fungi
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Fungi id Species 286 Aspergillus versicolor