Epurpurin a
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Formula: C28H28N2O2
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Molecular weight: 424.50
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Smiles: CC(=CCC1=C(C=CC(=C1)C=C(C#N)C(=CC2=CC(=C(C=C2)O)CC=C(C)C)C#N)O)C
Epurpurin a
Names
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Mycotoxin name: Epurpurin a
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First synonym: Epurpurin a
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Synonyms: Epurpurin A
Identifiers / External links
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CAS: 185954-06-7
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PubChem CID: 10764807
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ChemSpiderID: 8940126
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Chemical Entities of Biological Interest (CHEBI): CHEBI:204582
Structure
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Smiles: CC(=CCC1=C(C=CC(=C1)C=C(C#N)C(=CC2=CC(=C(C=C2)O)CC=C(C)C)C#N)O)C
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Isomeric smiles: CC(=CCC1=C(C=CC(=C1)/C=C(/C(=C/C2=CC(=C(C=C2)O)CC=C(C)C)/C#N)\C#N)O)C
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Inchi: InChI=1S/C28H28N2O2/c1-19(2)5-9-23-13-21(7-11-27(23)31)15-25(17-29)26(18-30)16-22-8-12-28(32)24(14-22)10-6-20(3)4/h5-8,11-16,31-32H,9-10H2,1-4H3/b25-15+,26-16+
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Inchikey: HLKVIBAPKJHKOQ-RYQLWAFASA-N
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2D structure:
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3D structure:
Physico-chemical properties
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Formula: C28H28N2O2
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Molecular weight: 424.50
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Monoisotopic mass: 424.21507814
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Fungi
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Fungi id Species 469 Emericella purpurea