5-amino-6-(4-hydroxy-2-butenoyl)-2,2-dimethyl-4-chromanone
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Formula: C15H17NO4
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Molecular weight: 275.30
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Smiles: CC1(CC(=O)C2=C(O1)C=CC(=C2N)C(=O)C=CCO)C
5-amino-6-(4-hydroxy-2-butenoyl)-2,2-dimethyl-4-chromanone
Names
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Mycotoxin name: 5-amino-6-(4-hydroxy-2-butenoyl)-2,2-dimethyl-4-chromanone
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First synonym: 5-amino-6-(4-hydroxy-2-butenoyl)-2,2-dimethyl-4-chromanone
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Synonyms: 5-Amino-6-(4-hydroxy-2-butenoyl)-2,2-dimethyl-4-chromanone,CHEBI:174629,2,2-dimethyl-5-amino-6-(2'E-ene-4'-hydroxylbutyryl)- 4-chromone,5-amino-6-[(E)-4-hydroxybut-2-enoyl]-2,2-dimethyl-3H-chromen-4-one
Identifiers / External links
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CAS: 162287-97-0
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PubChem CID: 15225569
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ChemSpiderID: 30777559
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Chemical Entities of Biological Interest (CHEBI): CHEBI:174629
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CompTox Chemicals Dashboard (DTXSID): DTXSID901120000
Structure
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Smiles: CC1(CC(=O)C2=C(O1)C=CC(=C2N)C(=O)C=CCO)C
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Isomeric smiles: CC1(CC(=O)C2=C(O1)C=CC(=C2N)C(=O)/C=C/CO)C
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Inchi: InChI=1S/C15H17NO4/c1-15(2)8-11(19)13-12(20-15)6-5-9(14(13)16)10(18)4-3-7-17/h3-6,17H,7-8,16H2,1-2H3/b4-3+
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Inchikey: FQWVFPQMOJOLSZ-ONEGZZNKSA-N
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2D structure:
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3D structure:
Physico-chemical properties
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Formula: C15H17NO4
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Molecular weight: 275.30
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Monoisotopic mass: 275.11575802
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Fungi
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Fungi id Species 533 Fusarium equiseti