Brevianamide c
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Formula: C21H23N3O3
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Molecular weight: 365.40
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Smiles: CC(C)C1CC23CCCN2C(=O)C1(NC3=O)C=C4C(=O)C5=CC=CC=C5N4
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Type: Indole alkaloid (diketopiperazine)
Brevianamide c
Names
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Mycotoxin name: Brevianamide c
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First synonym: Brevianamide c
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Synonyms: Brevianamide C
Identifiers / External links
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CAS: 38136-68-4
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PubChem CID: 21769029
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ChemSpiderID: 10390698
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Chemical Entities of Biological Interest (CHEBI): CHEBI:219632
Structure
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Smiles: CC(C)C1CC23CCCN2C(=O)C1(NC3=O)C=C4C(=O)C5=CC=CC=C5N4
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Isomeric smiles: CC(C)C1C[C@@]23CCCN2C(=O)[C@@]1(NC3=O)/C=C\4/C(=O)C5=CC=CC=C5N4
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Inchi: InChI=1S/C21H23N3O3/c1-12(2)14-10-20-8-5-9-24(20)19(27)21(14,23-18(20)26)11-16-17(25)13-6-3-4-7-15(13)22-16/h3-4,6-7,11-12,14,22H,5,8-10H2,1-2H3,(H,23,26)/b16-11-/t14?,20-,21-/m1/s1
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Inchikey: ZYQGZNMJYUPXGP-ASSLQMHZSA-N
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2D structure:
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3D structure:
Physico-chemical properties
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Formula: C21H23N3O3
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Molecular weight: 365.40
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Monoisotopic mass: 365.1739416
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Fungi
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Fungi id Species 742 Penicillium brevicompactum