3-Butyl-7-hydroxyphthalide
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Formula: C12H14O3
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Molecular weight: 206.24
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Smiles: CCCCC1C2=C(C(=CC=C2)O)C(=O)O1
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Type: Phthalide
3-Butyl-7-hydroxyphthalide
Names
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Mycotoxin name: 3-Butyl-7-hydroxyphthalide
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First synonym: None
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Synonyms: 135217-23-1,3-butyl-7-hydroxyphthalide,1(3H)-Isobenzofuranone, 3-butyl-7-hydroxy-,3-butyl-7-hydroxy-3H-2-benzofuran-1-one,SCHEMBL4240308,CHEMBL4073503,DTXSID60443398
Identifiers / External links
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CAS: 135217-23-1
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PubChem CID: 10679779
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ChemSpiderID: 8855125
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ChEMBL: CHEMBL4073503,CHEMBL4240308
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CompTox Chemicals Dashboard (DTXSID): DTXSID60443398
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SCHEMBL: SCHEMBL4240308
Structure
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Smiles: CCCCC1C2=C(C(=CC=C2)O)C(=O)O1
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Isomeric smiles: CCCCC1C2=C(C(=CC=C2)O)C(=O)O1
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Inchi: InChI=1S/C12H14O3/c1-2-3-7-10-8-5-4-6-9(13)11(8)12(14)15-10/h4-6,10,13H,2-3,7H2,1H3
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Inchikey: UWGOKYNWVHSOJQ-UHFFFAOYSA-N
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2D structure:
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3D structure:
Physico-chemical properties
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Formula: C12H14O3
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Molecular weight: 206.24
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Monoisotopic mass: 206.094294304
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Fungi
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Fungi id Species 1004 Penicillium vulpinum