7'-Dehydrozearalenone
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Formula: C18H20O5
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Molecular weight: 316.30
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Smiles: CC1CC=CC(=O)CCCC=CC2=C(C(=CC(=C2)O)O)C(=O)O1
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Type: Resorcyl lactone
7'-Dehydrozearalenone
Names
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Mycotoxin name: 7'-Dehydrozearalenone
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First synonym: None
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Synonyms: 7'-Dehydrozearalenone,0T3IDE9S5B,1H-2-Benzoxacyclotetradecin-1,7(8H)-dione, 3,4,9,10-tetrahydro-14,16-dihydroxy-3-methyl-, (3S,5E,11E)-,40785-63-5,UNII-0T3IDE9S5B,Q27237222
Identifiers / External links
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CAS: 40785-63-5
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PubChem CID: 73506726
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US FDA (UNII): UNII-0T3IDE9S5B
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Wikidata (wiki): Q27237222
Structure
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Smiles: CC1CC=CC(=O)CCCC=CC2=C(C(=CC(=C2)O)O)C(=O)O1
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Isomeric smiles: C[C@H]1C/C=C/C(=O)CCC/C=C/C2=C(C(=CC(=C2)O)O)C(=O)O1
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Inchi: InChI=1S/C18H20O5/c1-12-6-5-9-14(19)8-4-2-3-7-13-10-15(20)11-16(21)17(13)18(22)23-12/h3,5,7,9-12,20-21H,2,4,6,8H2,1H3/b7-3+,9-5+/t12-/m0/s1
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Inchikey: HRUOWSYFAVIOSJ-XGXKLDBLSA-N
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2D structure:
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3D structure:
Physico-chemical properties
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Formula: C18H20O5
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Molecular weight: 316.30
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Monoisotopic mass: 316.13107373
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Fungi
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Fungi id Species 590 Gibberella zeae