Asterriquinone su 5228
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Formula: C27H22N2O4
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Molecular weight: 438.50
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Smiles: CC(=CCC1=C(C2=CC=CC=C2N1)C3=C(C(=O)C(=C(C3=O)O)C4=CNC5=CC=CC=C54)O)C
Asterriquinone su 5228
Names
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Mycotoxin name: Asterriquinone su 5228
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First synonym: Asterriquinone su-5228
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Synonyms: Asterriquinone SU-5228,SCHEMBL7230303
Identifiers / External links
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PubChem CID: 10114023
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ChemSpiderID: 8289546
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ChEMBL: CHEMBL7230303
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Chemical Entities of Biological Interest (CHEBI): CHEBI:209650
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SCHEMBL: SCHEMBL7230303
Structure
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Smiles: CC(=CCC1=C(C2=CC=CC=C2N1)C3=C(C(=O)C(=C(C3=O)O)C4=CNC5=CC=CC=C54)O)C
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Isomeric smiles: CC(=CCC1=C(C2=CC=CC=C2N1)C3=C(C(=O)C(=C(C3=O)O)C4=CNC5=CC=CC=C54)O)C
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Inchi: InChI=1S/C27H22N2O4/c1-14(2)11-12-20-21(16-8-4-6-10-19(16)29-20)23-26(32)24(30)22(25(31)27(23)33)17-13-28-18-9-5-3-7-15(17)18/h3-11,13,28-30,33H,12H2,1-2H3
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Inchikey: PTNWHJCGKAMDRN-UHFFFAOYSA-N
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2D structure:
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3D structure:
Physico-chemical properties
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Formula: C27H22N2O4
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Molecular weight: 438.50
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Monoisotopic mass: 438.15795719
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Fungi
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Fungi id Species 102 Aspergillus candidus