Neoechinulin b
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Formula: C19H19N3O2
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Molecular weight: 321.40
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Smiles: CC(C)(C=C)C1=C(C2=CC=CC=C2N1)C=C3C(=O)NC(=C)C(=O)N3
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Type: Indole dipeptide 23
Neoechinulin b
Names
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Mycotoxin name: Neoechinulin b
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First synonym: Neoechinulin b
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Synonyms: neoechinulin B,55179-53-8,CHEMBL268796,Neoechinulin B; Alkaloid E-10,BDBM50498193,ZINC14612873,BS-1202,(3Z)-3-[[2-(2-methylbut-3-en-2-yl)-1H-indol-3-yl]methylidene]-6-methylidenepiperazine-2,5-dione
Identifiers / External links
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CAS: 55179-53-8
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PubChem CID: 23425626
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ChemSpiderID: 10470947
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ChEMBL: CHEMBL268796
Structure
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Smiles: CC(C)(C=C)C1=C(C2=CC=CC=C2N1)C=C3C(=O)NC(=C)C(=O)N3
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Isomeric smiles: CC(C)(C=C)C1=C(C2=CC=CC=C2N1)/C=C\3/C(=O)NC(=C)C(=O)N3
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Inchi: InChI=1S/C19H19N3O2/c1-5-19(3,4)16-13(12-8-6-7-9-14(12)21-16)10-15-18(24)20-11(2)17(23)22-15/h5-10,21H,1-2H2,3-4H3,(H,20,24)(H,22,23)/b15-10-
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Inchikey: GVVVEKSVCAGUTP-GDNBJRDFSA-N
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2D structure:
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3D structure:
Physico-chemical properties
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Formula: C19H19N3O2
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Molecular weight: 321.40
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Monoisotopic mass: 321.147726857
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Fungi
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Fungi id Species 86 Aspergillus amstelodami 284 Aspergillus variecolor 514 Eurotium chevalieri