Sorrentanone
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Formula: C14H14O4
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Molecular weight: 246.26
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Smiles: CC=CC=CC(=O)C1=C(C(=O)C(=O)C(=C1O)C)C
Sorrentanone
Names
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Mycotoxin name: Sorrentanone
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First synonym: Sorrentanone
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Synonyms: sorrentanone,CHEMBL463324,4-[(2E,4E)-hexa-2,4-dienoyl]-5-hydroxy-3,6-dimethyl-1,2-benzoquinone
Identifiers / External links
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CAS: 165337-76-8
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PubChem CID: 11776653
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ChEMBL: CHEMBL463324
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Chemical Entities of Biological Interest (CHEBI): CHEBI:225089
Structure
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Smiles: CC=CC=CC(=O)C1=C(C(=O)C(=O)C(=C1O)C)C
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Isomeric smiles: C/C=C/C=C/C(=O)C1=C(C(=O)C(=O)C(=C1O)C)C
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Inchi: InChI=1S/C14H14O4/c1-4-5-6-7-10(15)11-8(2)13(17)14(18)9(3)12(11)16/h4-7,16H,1-3H3/b5-4+,7-6+
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Inchikey: QPJFEVOJXXMYHH-YTXTXJHMSA-N
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2D structure:
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3D structure:
Physico-chemical properties
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Formula: C14H14O4
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Molecular weight: 246.26
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Monoisotopic mass: 246.08920892
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Fungi
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Fungi id Species 760 Penicillium chrysogenum SC 13887