Sclerotigenin
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Formula: C16H11N3O2
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Molecular weight: 277.28
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Smiles: C1C2=NC3=CC=CC=C3C(=O)N2C4=CC=CC=C4C(=O)N1
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Type: Benzodiazepine alkaloid
Sclerotigenin
Names
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Mycotoxin name: Sclerotigenin
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First synonym: Sclerotigenin
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Synonyms: sclerotigenin,65641-84-1,6,7-dihydro-quinazolino[3,2-a][1,4]benzodiazepine-5,13-dione,CHEMBL490538,SCHEMBL10871850,NGYKOTTXJAPLPC-UHFFFAOYSA-,6,7-dihydroquinazolino[3,2-a][1,4]benzodiazepine-5,13-dione,6,7-dihydro-5H,13H-quinazolino[3,2-a][1,4]benzodiazepine-5,13-dione
Identifiers / External links
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CAS: 65641-84-1,20-15-1,18-12-7
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PubChem CID: 10802469
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ChEMBL: CHEMBL10871850,CHEMBL490538
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Chemical Entities of Biological Interest (CHEBI): CHEBI:199833
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SCHEMBL: SCHEMBL10871850
Structure
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Smiles: C1C2=NC3=CC=CC=C3C(=O)N2C4=CC=CC=C4C(=O)N1
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Isomeric smiles: C1C2=NC3=CC=CC=C3C(=O)N2C4=CC=CC=C4C(=O)N1
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Inchi: InChI=1S/C16H11N3O2/c20-15-11-6-2-4-8-13(11)19-14(9-17-15)18-12-7-3-1-5-10(12)16(19)21/h1-8H,9H2,(H,17,20)
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Inchikey: NGYKOTTXJAPLPC-UHFFFAOYSA-N
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2D structure:
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3D structure:
Physico-chemical properties
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Formula: C16H11N3O2
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Molecular weight: 277.28
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Monoisotopic mass: 277.085126602
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Fungi
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Fungi id Species 913 Penicillium sclerotigenum