Clavatol
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Formula: C10H12O3
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Molecular weight: 180.20
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Smiles: CC1=CC(=C(C(=C1O)C)O)C(=O)C
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Type: Phenol
Clavatol
Names
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Mycotoxin name: Clavatol
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First synonym: None
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Synonyms: Clavatol,Clavatol (phenone),577-45-7,1-(2,4-Dihydroxy-3,5-dimethylphenyl)ethanone,NY65Z5RZ3T,Ethanone, 1-(2,4-dihydroxy-3,5-dimethylphenyl)-,UNII-NY65Z5RZ3T,Acetylphenone, 2',4'-dihydroxy-3',5'-dimethyl-,2',4'-dihydroxy-3',5'-dimethylacetophenone,1-(2,4-Dihydroxy-3,5-dimethyl-phenyl)-ethanone,1-(2,4-dihydroxy-3,5-dimethylphenyl)ethan-1-one,DTXSID30973293,CHEBI:188925,AKOS022640525,BS-1025
Identifiers / External links
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CAS: 577-45-7
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PubChem CID: 3083634
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ChemSpiderID: 2340807
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US FDA (UNII): UNII-NY65Z5RZ3T
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Chemical Entities of Biological Interest (CHEBI): CHEBI:188925
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CompTox Chemicals Dashboard (DTXSID): DTXSID30973293
Structure
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Smiles: CC1=CC(=C(C(=C1O)C)O)C(=O)C
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Isomeric smiles: CC1=CC(=C(C(=C1O)C)O)C(=O)C
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Inchi: InChI=1S/C10H12O3/c1-5-4-8(7(3)11)10(13)6(2)9(5)12/h4,12-13H,1-3H3
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Inchikey: AMZNYVFIWCPUAY-UHFFFAOYSA-N
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2D structure:
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3D structure:
Physico-chemical properties
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Formula: C10H12O3
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Molecular weight: 180.20
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Monoisotopic mass: 180.078644241
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Fungi
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Fungi id Species 114 Aspergillus clavatus