Circumdatin G
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Formula: C17H13N3O3
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Molecular weight: 307.30
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Smiles: CC1C2=NC3=C(C=CC=C3O)C(=O)N2C4=CC=CC=C4C(=O)N1
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Type: Benzodiazepine alkaloid
Circumdatin G
Names
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Mycotoxin name: Circumdatin G
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First synonym: None
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Synonyms: Circumdatin G,(7S)-9-hydroxy-7-methyl-6,7-dihydroquinazolino[3,2-a][1,4]benzodiazepine-5,13-dione,(7S)-9-hydroxy-7-methyl-6,7-dihydroquinazolino(3,2-a)(1,4)benzodiazepine-5,13-dione,CHEMBL2375799,CHEBI:208408,326597-48-2
Identifiers / External links
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CAS: 326597-48-2
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PubChem CID: 10804637
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ChemSpiderID: 4935864
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ChEMBL: CHEMBL2375799
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Chemical Entities of Biological Interest (CHEBI): CHEBI:208408
Structure
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Smiles: CC1C2=NC3=C(C=CC=C3O)C(=O)N2C4=CC=CC=C4C(=O)N1
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Isomeric smiles: C[C@H]1C2=NC3=C(C=CC=C3O)C(=O)N2C4=CC=CC=C4C(=O)N1
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Inchi: InChI=1S/C17H13N3O3/c1-9-15-19-14-11(6-4-8-13(14)21)17(23)20(15)12-7-3-2-5-10(12)16(22)18-9/h2-9,21H,1H3,(H,18,22)/t9-/m0/s1
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Inchikey: VNCYXASDDCJEJE-VIFPVBQESA-N
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2D structure:
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3D structure:
Physico-chemical properties
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Formula: C17H13N3O3
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Molecular weight: 307.30
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Monoisotopic mass: 307.09569129
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Fungi
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Fungi id Species 191 Aspergillus ochraceus