3'-n'-acetylfusarochromanone
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Formula: C17H22N2O5
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Molecular weight: 334.40
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Smiles: CC(=O)NC(CC(=O)C1=C(C2=C(C=C1)OC(CC2=O)(C)C)N)CO
3'-n'-acetylfusarochromanone
Names
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Mycotoxin name: 3'-n'-acetylfusarochromanone
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First synonym: Tdp-2
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Synonyms: TDP-2,3'-N'-Acetylfusarochromanone,120976-97-8,Monoacetylfusarochromanone,TDP 2,CHEBI:175263,Q27896655,N-[4-(5-amino-2,2-dimethyl-4-oxo-3H-chromen-6-yl)-1-hydroxy-4-oxobutan-2-yl]acetamide,Acetamide, N-(3-(5-amino-3,4-dihydro-2,2-dimethyl-4-oxo-2H-1-benzopyran-6-yl)-1-(hydroxymethyl)-3-oxopropyl)-
Identifiers / External links
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CAS: 120976-97-8
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PubChem CID: 102571616
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ChemSpiderID: 35014423
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US FDA (UNII): UNII-7FAJ6I3CI0
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Wikidata (wiki): Q27896655
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Chemical Entities of Biological Interest (CHEBI): CHEBI:175263
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CompTox Chemicals Dashboard (DTXSID): DTXSID301108680
Structure
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Smiles: CC(=O)NC(CC(=O)C1=C(C2=C(C=C1)OC(CC2=O)(C)C)N)CO
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Isomeric smiles: CC(=O)NC(CC(=O)C1=C(C2=C(C=C1)OC(CC2=O)(C)C)N)CO
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Inchi: InChI=1S/C17H22N2O5/c1-9(21)19-10(8-20)6-12(22)11-4-5-14-15(16(11)18)13(23)7-17(2,3)24-14/h4-5,10,20H,6-8,18H2,1-3H3,(H,19,21)
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Inchikey: VXRAAUKUZQYZRW-UHFFFAOYSA-N
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2D structure:
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3D structure:
Physico-chemical properties
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Formula: C17H22N2O5
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Molecular weight: 334.40
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Monoisotopic mass: 334.15287181
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Fungi
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Fungi id Species 533 Fusarium equiseti