Brevicompanine c
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Formula: C21H27N3O2
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Molecular weight: 353.50
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Smiles: CC(C)C1C(=O)N2C(CC3(C2NC4=CC=CC=C43)C(C)(C)C=C)C(=O)N1
Brevicompanine c
Names
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Mycotoxin name: Brevicompanine c
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First synonym: Brevicompanine c
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Synonyms: brevicompanine C,Q63393233,brevicompanine,CHEMBL472025
Identifiers / External links
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CAS: 22-14-1,21-11-1
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PubChem CID: 5325980
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ChemSpiderID: 4483463
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ChEMBL: CHEMBL472025
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Wikidata (wiki): Q63393233
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Chemical Entities of Biological Interest (CHEBI): CHEBI:205751
Structure
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Smiles: CC(C)C1C(=O)N2C(CC3(C2NC4=CC=CC=C43)C(C)(C)C=C)C(=O)N1
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Isomeric smiles: CC(C)[C@@H]1C(=O)N2[C@@H](C[C@@]3([C@H]2NC4=CC=CC=C43)C(C)(C)C=C)C(=O)N1
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Inchi: InChI=1S/C21H27N3O2/c1-6-20(4,5)21-11-15-17(25)23-16(12(2)3)18(26)24(15)19(21)22-14-10-8-7-9-13(14)21/h6-10,12,15-16,19,22H,1,11H2,2-5H3,(H,23,25)/t15-,16+,19-,21+/m0/s1
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Inchikey: GFKUCJKLCHSSJN-JRYVEOFUSA-N
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2D structure:
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3D structure:
Physico-chemical properties
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Formula: C21H27N3O2
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Molecular weight: 353.50
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Monoisotopic mass: 353.21032711
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Fungi
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Fungi id Species 742 Penicillium brevicompactum