Shoyuflavone b
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Formula: C19H14O10
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Molecular weight: 402.30
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Smiles: C1=CC(=CC=C1C2=COC3=CC(=CC(=C3C2=O)O)OC(C(C(=O)O)O)C(=O)O)O
Shoyuflavone b
Names
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Mycotoxin name: Shoyuflavone b
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First synonym: Shoyuflavone b
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Synonyms: Shoyuflavone B,2-hydroxy-3-[5-hydroxy-3-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxybutanedioic acid,190712-88-0,SCHEMBL7877428,CHEBI:172641,2-hydroxy-3-{[5-hydroxy-3-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl]oxy}butanedioic acid
Identifiers / External links
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CAS: 190712-88-0
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PubChem CID: 10001145
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ChEMBL: CHEMBL7877428
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Chemical Entities of Biological Interest (CHEBI): CHEBI:172641
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CompTox Chemicals Dashboard (DTXSID): DTXSID801120964
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SCHEMBL: SCHEMBL7877428
Structure
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Smiles: C1=CC(=CC=C1C2=COC3=CC(=CC(=C3C2=O)O)OC(C(C(=O)O)O)C(=O)O)O
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Isomeric smiles: C1=CC(=CC=C1C2=COC3=CC(=CC(=C3C2=O)O)OC(C(C(=O)O)O)C(=O)O)O
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Inchi: InChI=1S/C19H14O10/c20-9-3-1-8(2-4-9)11-7-28-13-6-10(5-12(21)14(13)15(11)22)29-17(19(26)27)16(23)18(24)25/h1-7,16-17,20-21,23H,(H,24,25)(H,26,27)
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Inchikey: YZECNQRIFYQRPI-UHFFFAOYSA-N
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2D structure:
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3D structure:
Physico-chemical properties
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Formula: C19H14O10
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Molecular weight: 402.30
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Monoisotopic mass: 402.05869664
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Fungi
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Fungi id Species 196 Aspergillus oryzae