Communesin e
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Formula: C28H32N4O
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Molecular weight: 440.60
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Smiles: CC(=CC1C2=C3C(=CC=C2)N(C4C35CCN1C6C5(CCN6C(=O)C)C7=CC=CC=C7N4)C)C
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Type: Indole alkaloid
Communesin e
Names
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Mycotoxin name: Communesin e
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First synonym: Communesin f
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Synonyms: Communesin F,COMMUNESIN E,CHEMBL2269099,SCHEMBL19609072,727416-60-6
Identifiers / External links
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CAS: 727416-60-6,727416-58-2
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PubChem CID: 24741372
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ChemSpiderID: 28284692
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ChEMBL: CHEMBL19609072,CHEMBL2269099
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Chemical Entities of Biological Interest (CHEBI): CHEBI:197604
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SCHEMBL: SCHEMBL19609072
Structure
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Smiles: CC(=CC1C2=C3C(=CC=C2)N(C4C35CCN1C6C5(CCN6C(=O)C)C7=CC=CC=C7N4)C)C
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Isomeric smiles: CC(=C[C@@H]1C2=C3C(=CC=C2)N([C@@H]4[C@]35CCN1[C@@H]6[C@]5(CCN6C(=O)C)C7=CC=CC=C7N4)C)C
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Inchi: InChI=1S/C28H32N4O/c1-17(2)16-23-19-8-7-11-22-24(19)28-13-15-32(23)26-27(28,12-14-31(26)18(3)33)20-9-5-6-10-21(20)29-25(28)30(22)4/h5-11,16,23,25-26,29H,12-15H2,1-4H3/t23-,25-,26-,27+,28+/m1/s1
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Inchikey: AJKLOOXVDIANRY-MGDFUXISSA-N
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2D structure:
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3D structure:
Physico-chemical properties
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Formula: C28H32N4O
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Molecular weight: 440.60
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Monoisotopic mass: 440.25761166
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Fungi
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Fungi id Species 802 Penicillium expansum MK-57 929 Penicillium sp.