Aspergillamide a
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Formula: C28H34N4O3
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Molecular weight: 474.60
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Smiles: CC(C)CC(C(=O)N(C)C(CC1=CC=CC=C1)C(=O)NC=CC2=CNC3=CC=CC=C32)NC(=O)C
Aspergillamide a
Names
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Mycotoxin name: Aspergillamide a
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First synonym: Aspergillamide a
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Synonyms: Aspergillamide A,CMLDBU00003414
Identifiers / External links
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CAS: 217489-31-1
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PubChem CID: 6917355
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ChemSpiderID: 5292606
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Chemical Entities of Biological Interest (CHEBI): CHEBI:198938
Structure
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Smiles: CC(C)CC(C(=O)N(C)C(CC1=CC=CC=C1)C(=O)NC=CC2=CNC3=CC=CC=C32)NC(=O)C
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Isomeric smiles: CC(C)C[C@@H](C(=O)N(C)[C@@H](CC1=CC=CC=C1)C(=O)N/C=C\C2=CNC3=CC=CC=C32)NC(=O)C
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Inchi: InChI=1S/C28H34N4O3/c1-19(2)16-25(31-20(3)33)28(35)32(4)26(17-21-10-6-5-7-11-21)27(34)29-15-14-22-18-30-24-13-9-8-12-23(22)24/h5-15,18-19,25-26,30H,16-17H2,1-4H3,(H,29,34)(H,31,33)/b15-14-/t25-,26-/m0/s1
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Inchikey: UTJKZLHQWWNPPP-JTVZBIPBSA-N
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2D structure:
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3D structure:
Physico-chemical properties
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Formula: C28H34N4O3
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Molecular weight: 474.60
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Monoisotopic mass: 474.26309096
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Fungi
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Fungi id Species 234 Aspergillus sp.