Asterriquinone c-1
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Formula: C29H26N2O4
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Molecular weight: 466.50
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Smiles: CC(C)(C=C)C1=C(C2=CC=CC=C2N1)C3=C(C(=O)C(=C(C3=O)OC)C4=CNC5=CC=CC=C54)OC
Asterriquinone c-1
Names
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Mycotoxin name: Asterriquinone c-1
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First synonym: Asteriquione c-1
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Synonyms: Asteriquione C-1,asterriquinone C-1,CHEMBL467829,78723-18-9
Identifiers / External links
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CAS: 78723-18-9
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PubChem CID: 23247889
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ChemSpiderID: 398756
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ChEMBL: CHEMBL467829
Structure
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Smiles: CC(C)(C=C)C1=C(C2=CC=CC=C2N1)C3=C(C(=O)C(=C(C3=O)OC)C4=CNC5=CC=CC=C54)OC
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Isomeric smiles: CC(C)(C=C)C1=C(C2=CC=CC=C2N1)C3=C(C(=O)C(=C(C3=O)OC)C4=CNC5=CC=CC=C54)OC
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Inchi: InChI=1S/C29H26N2O4/c1-6-29(2,3)28-21(17-12-8-10-14-20(17)31-28)23-25(33)26(34-4)22(24(32)27(23)35-5)18-15-30-19-13-9-7-11-16(18)19/h6-15,30-31H,1H2,2-5H3
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Inchikey: VMGKCTQSPITGEV-UHFFFAOYSA-N
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2D structure:
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3D structure:
Physico-chemical properties
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Formula: C29H26N2O4
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Molecular weight: 466.50
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Monoisotopic mass: 466.18925731
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Fungi
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Fungi id Species 263 Aspergillus terreus