Isoechinulin a
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Formula: C24H29N3O2
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Molecular weight: 391.50
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Smiles: CC1C(=O)NC(=CC2=C(NC3=C2C=C(C=C3)CC=C(C)C)C(C)(C)C=C)C(=O)N1
Isoechinulin a
Names
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Mycotoxin name: Isoechinulin a
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First synonym: Isoechinulin a
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Synonyms: isoechinulin A,UNII-7FXA0TK91G,7FXA0TK91G,60422-87-9,(-)-Isoechinulin A,CHEMBL250697,(3Z,6S)-3-((2-(1,1-Dimethyl-2-propen-1-yl)-5-(3-methyl-2-buten-1-yl)-1H-indol-3-yl)methylene)-6-methyl-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-methyl-, (3Z,6S)-
Identifiers / External links
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CAS: 60422-87-9
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PubChem CID: 44445553
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ChemSpiderID: 23311315
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ChEMBL: CHEMBL250697
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US FDA (UNII): UNII-7FXA0TK91G
Structure
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Smiles: CC1C(=O)NC(=CC2=C(NC3=C2C=C(C=C3)CC=C(C)C)C(C)(C)C=C)C(=O)N1
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Isomeric smiles: C[C@H]1C(=O)N/C(=C\C2=C(NC3=C2C=C(C=C3)CC=C(C)C)C(C)(C)C=C)/C(=O)N1
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Inchi: InChI=1S/C24H29N3O2/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/h7-8,10-13,15,26H,1,9H2,2-6H3,(H,25,29)(H,27,28)/b20-13-/t15-/m0/s1
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Inchikey: ZHKHUDVCZTVZPU-HYTQYMIGSA-N
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2D structure:
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3D structure:
Physico-chemical properties
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Formula: C24H29N3O2
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Molecular weight: 391.50
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Monoisotopic mass: 391.22597718
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Fungi
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Fungi id Species 284 Aspergillus variecolor