Notoamide i
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Formula: C26H27N3O4
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Molecular weight: 445.50
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Smiles: CC1(C=CC2=C(O1)C=CC3=C2NC4=C3C(=O)C56C(C4(C)C)CC7(CCCN7C5=O)C(=O)N6)C
Notoamide i
Names
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Mycotoxin name: Notoamide i
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First synonym: Notoamide i
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Synonyms: Notoamide I,CHEMBL518633,J2.582.399K
Identifiers / External links
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CAS: 1092808-31-5
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PubChem CID: 25180708
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ChemSpiderID: 23344410
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ChEMBL: CHEMBL518633
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Chemical Entities of Biological Interest (CHEBI): CHEBI:201351
Structure
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Smiles: CC1(C=CC2=C(O1)C=CC3=C2NC4=C3C(=O)C56C(C4(C)C)CC7(CCCN7C5=O)C(=O)N6)C
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Isomeric smiles: CC1(C=CC2=C(O1)C=CC3=C2NC4=C3C(=O)[C@]56[C@H](C4(C)C)C[C@@]7(CCCN7C5=O)C(=O)N6)C
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Inchi: InChI=1S/C26H27N3O4/c1-23(2)10-8-13-15(33-23)7-6-14-17-19(27-18(13)14)24(3,4)16-12-25-9-5-11-29(25)22(32)26(16,20(17)30)28-21(25)31/h6-8,10,16,27H,5,9,11-12H2,1-4H3,(H,28,31)/t16-,25-,26+/m0/s1
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Inchikey: CDJZXTFDGOKTOT-MEMLUFBQSA-N
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2D structure:
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3D structure:
Physico-chemical properties
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Formula: C26H27N3O4
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Molecular weight: 445.50
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Monoisotopic mass: 445.20015635
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Fungi
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Fungi id Species 234 Aspergillus sp.