Sohirnone a
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Formula: C13H16O3
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Molecular weight: 220.26
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Smiles: CC=CCCC(=O)C1=C(C=C(C(=C1)C)O)O
Sohirnone a
Names
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Mycotoxin name: Sohirnone a
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First synonym: Sohirnone a
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Synonyms: SOHIRNONE A,CHEMBL443858
Identifiers / External links
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CAS: 859155-90-1
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PubChem CID: 11390386
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ChEMBL: CHEMBL443858
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Chemical Entities of Biological Interest (CHEBI): CHEBI:223288
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CompTox Chemicals Dashboard (DTXSID): DTXSID401318125
Structure
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Smiles: CC=CCCC(=O)C1=C(C=C(C(=C1)C)O)O
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Isomeric smiles: C/C=C/CCC(=O)C1=C(C=C(C(=C1)C)O)O
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Inchi: InChI=1S/C13H16O3/c1-3-4-5-6-11(14)10-7-9(2)12(15)8-13(10)16/h3-4,7-8,15-16H,5-6H2,1-2H3/b4-3+
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Inchikey: PZLKKLWFFFEJHP-ONEGZZNKSA-N
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2D structure:
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3D structure:
Physico-chemical properties
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Formula: C13H16O3
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Molecular weight: 220.26
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Monoisotopic mass: 220.109944368
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Fungi
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Fungi id Species 869 Penicillium notatum