Phenopicolinic acid
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Formula: C13H11NO3
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Molecular weight: 229.23
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Smiles: C1=CC(=CC=C1CC2=CN=C(C=C2)C(=O)O)O
Phenopicolinic acid
Names
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Mycotoxin name: Phenopicolinic acid
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First synonym: Phenopicolinic acid
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Synonyms: Phenopicolinic acid,5-(4-Hydroxybenzyl)picolinic acid,56153-30-1,2-Pyridinecarboxylic acid, 5-((4-hydroxyphenyl)methyl)-,BRN 0478935,5-((4-Hydroxyphenyl)methyl)-2-pyridinecarboxylic acid,5-22-05-00314 (Beilstein Handbook Reference),SCHEMBL6651827,DTXSID00204687,5-(4-hydroxybenzyl)-picolinic acid,Q7181395
Identifiers / External links
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CAS: 56153-30-1,22-05-0
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PubChem CID: 3043792
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DSS TOX CID: DTXCID30127178
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ChEMBL: CHEMBL6651827,CHEMBL4764135
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US FDA (UNII): UNII-BQT8GD5527
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Wikidata (wiki): Q7181395
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Chemical Entities of Biological Interest (CHEBI): CHEBI:223967
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CompTox Chemicals Dashboard (DTXSID): DTXSID00204687
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SCHEMBL: SCHEMBL6651827
Structure
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Smiles: C1=CC(=CC=C1CC2=CN=C(C=C2)C(=O)O)O
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Isomeric smiles: C1=CC(=CC=C1CC2=CN=C(C=C2)C(=O)O)O
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Inchi: InChI=1S/C13H11NO3/c15-11-4-1-9(2-5-11)7-10-3-6-12(13(16)17)14-8-10/h1-6,8,15H,7H2,(H,16,17)
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Inchikey: SJBFZHNCSGBLEK-UHFFFAOYSA-N
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2D structure:
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3D structure:
Physico-chemical properties
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Formula: C13H11NO3
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Molecular weight: 229.23
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Monoisotopic mass: 229.07389321
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Fungi
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Fungi id Species 715 Paecilomyces sp. AF2562