Neoaspergillic acid
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Formula: C12H20N2O2
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Molecular weight: 224.30
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Smiles: CC(C)CC1=CN=C(C(=O)N1O)CC(C)C
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Type: Pyrazinone
Neoaspergillic acid
Names
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Mycotoxin name: Neoaspergillic acid
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First synonym: None
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Synonyms: Neoaspergillic acid,GM6E3FL4VO,3,6-Diisobutyl-1-hydroxy-2(1H)-pyrazinone,UNII-GM6E3FL4VO,5021-35-2,NSC356436,1-Hydroxy-3,6-bis(2-methylpropyl)-2(1H)-pyrazinone,2(1H)-Pyrazinone, 1-hydroxy-3,6-bis(2-methylpropyl)-,2152-59-2,DTXSID20420024,CHEBI:217195,NSC-356436,Q27896588
Identifiers / External links
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CAS: 2152-59-2,5021-35-2
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PubChem CID: 5458821
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ChemSpiderID: 4572713
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US FDA (UNII): UNII-GM6E3FL4VO
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Wikidata (wiki): Q27896588
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Chemical Entities of Biological Interest (CHEBI): CHEBI:217195
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CompTox Chemicals Dashboard (DTXSID): DTXSID20420024
Structure
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Smiles: CC(C)CC1=CN=C(C(=O)N1O)CC(C)C
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Isomeric smiles: CC(C)CC1=CN=C(C(=O)N1O)CC(C)C
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Inchi: InChI=1S/C12H20N2O2/c1-8(2)5-10-7-13-11(6-9(3)4)12(15)14(10)16/h7-9,16H,5-6H2,1-4H3
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Inchikey: VIXDKWMATBSRFJ-UHFFFAOYSA-N
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2D structure:
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3D structure:
Physico-chemical properties
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Formula: C12H20N2O2
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Molecular weight: 224.30
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Monoisotopic mass: 224.152477885
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Fungi
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Fungi id Species