Shoyuflavone a
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Formula: C19H14O9
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Molecular weight: 386.30
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Smiles: C1=CC(=CC=C1C2=COC3=C(C2=O)C=CC(=C3)OC(C(C(=O)O)O)C(=O)O)O
Shoyuflavone a
Names
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Mycotoxin name: Shoyuflavone a
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First synonym: Shoyuflavone a
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Synonyms: Shoyuflavone A,2-hydroxy-3-[3-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxybutanedioic acid,190712-87-9,SCHEMBL7871033,CHEBI:172620,2-hydroxy-3-{[3-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl]oxy}butanedioic acid
Identifiers / External links
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CAS: 190712-87-9
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PubChem CID: 10023017
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ChEMBL: CHEMBL7871033
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Chemical Entities of Biological Interest (CHEBI): CHEBI:172620
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CompTox Chemicals Dashboard (DTXSID): DTXSID101132508
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SCHEMBL: SCHEMBL7871033
Structure
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Smiles: C1=CC(=CC=C1C2=COC3=C(C2=O)C=CC(=C3)OC(C(C(=O)O)O)C(=O)O)O
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Isomeric smiles: C1=CC(=CC=C1C2=COC3=C(C2=O)C=CC(=C3)OC(C(C(=O)O)O)C(=O)O)O
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Inchi: InChI=1S/C19H14O9/c20-10-3-1-9(2-4-10)13-8-27-14-7-11(5-6-12(14)15(13)21)28-17(19(25)26)16(22)18(23)24/h1-8,16-17,20,22H,(H,23,24)(H,25,26)
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Inchikey: BZUOOSAINABLAK-UHFFFAOYSA-N
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2D structure:
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3D structure:
Physico-chemical properties
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Formula: C19H14O9
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Molecular weight: 386.30
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Monoisotopic mass: 386.06378202
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Fungi
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Fungi id Species 196 Aspergillus oryzae