Tardioxopiperazine a
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Formula: C24H31N3O2
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Molecular weight: 393.50
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Smiles: CC1C(=O)NC(C(=O)N1)CC2=C(NC3=C2C=C(C=C3)CC=C(C)C)C(C)(C)C=C
Tardioxopiperazine a
Names
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Mycotoxin name: Tardioxopiperazine a
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First synonym: Tardioxopiperazine a
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Synonyms: tardioxopiperazine A,CHEMBL400852
Identifiers / External links
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CAS: 252028-90-3
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PubChem CID: 10810596
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ChEMBL: CHEMBL400852
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Chemical Entities of Biological Interest (CHEBI): CHEBI:193007
Structure
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Smiles: CC1C(=O)NC(C(=O)N1)CC2=C(NC3=C2C=C(C=C3)CC=C(C)C)C(C)(C)C=C
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Isomeric smiles: C[C@H]1C(=O)N[C@H](C(=O)N1)CC2=C(NC3=C2C=C(C=C3)CC=C(C)C)C(C)(C)C=C
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Inchi: InChI=1S/C24H31N3O2/c1-7-24(5,6)21-18(13-20-23(29)25-15(4)22(28)27-20)17-12-16(9-8-14(2)3)10-11-19(17)26-21/h7-8,10-12,15,20,26H,1,9,13H2,2-6H3,(H,25,29)(H,27,28)/t15-,20-/m0/s1
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Inchikey: WXGWEFVOPYZZTA-YWZLYKJASA-N
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2D structure:
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3D structure:
Physico-chemical properties
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Formula: C24H31N3O2
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Molecular weight: 393.50
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Monoisotopic mass: 393.24162724
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Fungi
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Fungi id Species 284 Aspergillus variecolor