Isoechinulin b
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Formula: C24H27N3O2
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Molecular weight: 389.50
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Smiles: CC(=CCC1=CC2=C(C=C1)NC(=C2C=C3C(=O)NC(=C)C(=O)N3)C(C)(C)C=C)C
Isoechinulin b
Names
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Mycotoxin name: Isoechinulin b
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First synonym: Isoechinulin b
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Synonyms: isoechinulin B,UNII-CLV92KG1KO,CLV92KG1KO,60422-88-0,CHEMBL249458,(3Z)-3-((2-(1,1-Dimethyl-2-propen-1-yl)-5-(3-methyl-2-buten-1-yl)-1H-indol-3-yl)methylene)-6-methylene-2,5-piperazinedione,2,5-Piperazinedione, 3-((2-(1,1-dimethyl-2-propen-1-yl)-5-(3-methyl-2-buten-1-yl)-1H-indol-3-yl)methylene)-6-methylene-, (3Z)-
Identifiers / External links
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CAS: 60422-88-0
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PubChem CID: 44445556
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ChemSpiderID: 23311322
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ChEMBL: CHEMBL249458
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US FDA (UNII): UNII-CLV92KG1KO
Structure
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Smiles: CC(=CCC1=CC2=C(C=C1)NC(=C2C=C3C(=O)NC(=C)C(=O)N3)C(C)(C)C=C)C
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Isomeric smiles: CC(=CCC1=CC2=C(C=C1)NC(=C2/C=C\3/C(=O)NC(=C)C(=O)N3)C(C)(C)C=C)C
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Inchi: InChI=1S/C24H27N3O2/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/h7-8,10-13,26H,1,4,9H2,2-3,5-6H3,(H,25,29)(H,27,28)/b20-13-
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Inchikey: YXEBXGSIECYEQC-MOSHPQCFSA-N
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2D structure:
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3D structure:
Physico-chemical properties
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Formula: C24H27N3O2
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Molecular weight: 389.50
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Monoisotopic mass: 389.21032711
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Fungi
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Fungi id Species 516 Eurotium rubrum