5-Formylzearalenone
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Formula: C19H22O6
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Molecular weight: 346.40
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Smiles: CC1CCCC(=O)CCCC=CC2=C(C(=CC(=C2C(=O)O1)O)O)C=O
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Type: Resorcyl lactone
5-Formylzearalenone
Names
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Mycotoxin name: 5-Formylzearalenone
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First synonym: None
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Synonyms: 5-Formylzearalenone,63UI2ZL7AO,1H-2-Benzoxacyclotetradecin-13-carboxaldehyde, 3,4,5,6,7,8,9,10-octahydro-14,16-dihydroxy-3-methyl-1,7-dioxo-, (3S,11E)-,41432-76-2,UNII-63UI2ZL7AO,Q27263652
Identifiers / External links
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CAS: 41432-76-2
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PubChem CID: 76957758
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ChemSpiderID: 4947207
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US FDA (UNII): UNII-63UI2ZL7AO
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Wikidata (wiki): Q27263652
Structure
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Smiles: CC1CCCC(=O)CCCC=CC2=C(C(=CC(=C2C(=O)O1)O)O)C=O
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Isomeric smiles: C[C@H]1CCCC(=O)CCC/C=C/C2=C(C(=CC(=C2C(=O)O1)O)O)C=O
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Inchi: InChI=1S/C19H22O6/c1-12-6-5-8-13(21)7-3-2-4-9-14-15(11-20)16(22)10-17(23)18(14)19(24)25-12/h4,9-12,22-23H,2-3,5-8H2,1H3/b9-4+/t12-/m0/s1
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Inchikey: XERJFBYLBCKWCY-KFRNIWOLSA-N
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2D structure:
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3D structure:
Physico-chemical properties
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Formula: C19H22O6
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Molecular weight: 346.40
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Monoisotopic mass: 346.14163842
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Fungi
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Fungi id Species 590 Gibberella zeae