phenylahistin
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Formula: C20H22N4O2
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Molecular weight: 350.40
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Smiles: CC(C)(C=C)C1=C(N=CN1)C=C2C(=O)NC(C(=O)N2)CC3=CC=CC=C3
phenylahistin
Names
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Mycotoxin name: phenylahistin
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First synonym: Phenylahistin
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Synonyms: Phenylahistin,(-)-Phenylahistin,SCHEMBL81222,CHEMBL319291,Q15425275,200815-37-8
Identifiers / External links
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CAS: 200815-37-8
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PubChem CID: 9798496
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ChemSpiderID: 7974262
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ChEMBL: CHEMBL319291,CHEMBL81222
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Wikidata (wiki): Q15425275
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CompTox Chemicals Dashboard (DTXSID): DTXSID801336373
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SCHEMBL: SCHEMBL81222
Structure
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Smiles: CC(C)(C=C)C1=C(N=CN1)C=C2C(=O)NC(C(=O)N2)CC3=CC=CC=C3
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Isomeric smiles: CC(C)(C=C)C1=C(N=CN1)/C=C\2/C(=O)N[C@H](C(=O)N2)CC3=CC=CC=C3
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Inchi: InChI=1S/C20H22N4O2/c1-4-20(2,3)17-14(21-12-22-17)11-16-19(26)23-15(18(25)24-16)10-13-8-6-5-7-9-13/h4-9,11-12,15H,1,10H2,2-3H3,(H,21,22)(H,23,26)(H,24,25)/b16-11-/t15-/m0/s1
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Inchikey: GWMHBVLPNWHWGW-CNYBTUBUSA-N
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2D structure:
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3D structure:
Physico-chemical properties
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Formula: C20H22N4O2
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Molecular weight: 350.40
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Monoisotopic mass: 350.17427596
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Fungi
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Fungi id Species 279 Aspergillus ustus