Rubiginosin a
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Formula: C23H24O9
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Molecular weight: 444.40
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Smiles: CC1=CC(=CC(=C1C(=O)OC2CC3=C(COC(=C3)C=CCOC(=O)C)C(=O)C2(C)O)O)O
Rubiginosin a
Names
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Mycotoxin name: Rubiginosin a
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First synonym: Rubiginosin a
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Synonyms: rubiginosin A,CHEMBL497262,ZDAMBVJOZXCGPS-PYDVXLROSA-
Identifiers / External links
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CAS: 31-11-1,32-19-9
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PubChem CID: 11270720
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ChEMBL: CHEMBL497262
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Chemical Entities of Biological Interest (CHEBI): CHEBI:213298
Structure
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Smiles: CC1=CC(=CC(=C1C(=O)OC2CC3=C(COC(=C3)C=CCOC(=O)C)C(=O)C2(C)O)O)O
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Isomeric smiles: CC1=CC(=CC(=C1C(=O)O[C@@H]2CC3=C(COC(=C3)/C=C/COC(=O)C)C(=O)[C@]2(C)O)O)O
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Inchi: InChI=1S/C23H24O9/c1-12-7-15(25)10-18(26)20(12)22(28)32-19-9-14-8-16(5-4-6-30-13(2)24)31-11-17(14)21(27)23(19,3)29/h4-5,7-8,10,19,25-26,29H,6,9,11H2,1-3H3/b5-4+/t19-,23-/m1/s1
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Inchikey: ZDAMBVJOZXCGPS-PYDVXLROSA-N
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2D structure:
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3D structure:
Physico-chemical properties
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Formula: C23H24O9
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Molecular weight: 444.40
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Monoisotopic mass: 444.14203234
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Fungi
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Fungi id Species 458 Emericella cinnabarina