Actofunicone
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Formula: C21H22O9
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Molecular weight: 418.40
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Smiles: CC(CC1=CC(=O)C(=CO1)C(=O)C2=C(C=C(C=C2OC)OC)C(=O)OC)OC(=O)C
Actofunicone
Names
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Mycotoxin name: Actofunicone
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First synonym: Actofunicone
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Synonyms: Actofunicone,UNII-8AQ79A74T2,8AQ79A74T2,FKI-0076,(+)-FKI-0076,358376-44-0,Benzoic acid, 2-((6-(2-(acetyloxy)propyl)-4-oxo-4H-pyran-3-yl)carbonyl)-3,5-dimethoxy-, methyl ester, (+)-,Q27270116
Identifiers / External links
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CAS: 358376-44-0
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PubChem CID: 72941809
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ChemSpiderID: 8129407
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US FDA (UNII): UNII-8AQ79A74T2
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Wikidata (wiki): Q79,Q27270116
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Chemical Entities of Biological Interest (CHEBI): CHEBI:226593
Structure
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Smiles: CC(CC1=CC(=O)C(=CO1)C(=O)C2=C(C=C(C=C2OC)OC)C(=O)OC)OC(=O)C
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Isomeric smiles: C[C@@H](CC1=CC(=O)C(=CO1)C(=O)C2=C(C=C(C=C2OC)OC)C(=O)OC)OC(=O)C
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Inchi: InChI=1S/C21H22O9/c1-11(30-12(2)22)6-14-8-17(23)16(10-29-14)20(24)19-15(21(25)28-5)7-13(26-3)9-18(19)27-4/h7-11H,6H2,1-5H3/t11-/m0/s1
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Inchikey: VSHBHDIKPQHDHQ-NSHDSACASA-N
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2D structure:
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3D structure:
Physico-chemical properties
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Formula: C21H22O9
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Molecular weight: 418.40
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Monoisotopic mass: 418.12638228
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Fungi
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Fungi id Species 1115 Talaromyces flavus FKI-0076