Falconensin n
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Formula: C22H24Cl2O7
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Molecular weight: 471.30
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Smiles: CCCC1=CC2=CC(=O)C(C(C2CO1)O)(C)OC(=O)C3=C(C(=C(C(=C3OC)Cl)O)Cl)C
Falconensin n
Names
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Mycotoxin name: Falconensin n
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First synonym: Falconensin n
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Synonyms: Falconensin N,C22H24Cl2O7
Identifiers / External links
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CAS: 208719-51-1
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PubChem CID: 10672080
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ChemSpiderID: 8847432
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Chemical Entities of Biological Interest (CHEBI): CHEBI:225346
Structure
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Smiles: CCCC1=CC2=CC(=O)C(C(C2CO1)O)(C)OC(=O)C3=C(C(=C(C(=C3OC)Cl)O)Cl)C
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Isomeric smiles: CCCC1=CC2=CC(=O)[C@]([C@H]([C@@H]2CO1)O)(C)OC(=O)C3=C(C(=C(C(=C3OC)Cl)O)Cl)C
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Inchi: InChI=1S/C22H24Cl2O7/c1-5-6-12-7-11-8-14(25)22(3,20(27)13(11)9-30-12)31-21(28)15-10(2)16(23)18(26)17(24)19(15)29-4/h7-8,13,20,26-27H,5-6,9H2,1-4H3/t13-,20+,22+/m1/s1
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Inchikey: NGPVAYRDUVAHGY-XOJPMGEXSA-N
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2D structure:
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3D structure:
Physico-chemical properties
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Formula: C22H24Cl2O7
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Molecular weight: 471.30
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Monoisotopic mass: 470.0899085
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Fungi
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Fungi id Species 464 Emericella fruticulosa