Aspergillitine
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Formula: C15H13NO2
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Molecular weight: 239.27
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Smiles: CC1=CC2=C(C=N1)C3=C(C=C2)C(=O)C(=C(O3)C)C
Aspergillitine
Names
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Mycotoxin name: Aspergillitine
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First synonym: Aspergillitine
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Synonyms: aspergillitine,CHEMBL453286,2,3,7-Trimethyl-1H-4-oxa-6-azaphenanthrene-1-one
Identifiers / External links
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CAS: 494767-59-8
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PubChem CID: 9991830
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ChemSpiderID: 556282
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ChEMBL: CHEMBL453286
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Chemical Entities of Biological Interest (CHEBI): CHEBI:217100
Structure
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Smiles: CC1=CC2=C(C=N1)C3=C(C=C2)C(=O)C(=C(O3)C)C
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Isomeric smiles: CC1=CC2=C(C=N1)C3=C(C=C2)C(=O)C(=C(O3)C)C
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Inchi: InChI=1S/C15H13NO2/c1-8-6-11-4-5-12-14(17)9(2)10(3)18-15(12)13(11)7-16-8/h4-7H,1-3H3
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Inchikey: UCURHOJUSAYQKR-UHFFFAOYSA-N
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2D structure:
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3D structure:
Physico-chemical properties
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Formula: C15H13NO2
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Molecular weight: 239.27
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Monoisotopic mass: 239.094628657
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Fungi
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Fungi id Species 286 Aspergillus versicolor