n-deoxymilitarinone a
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Formula: C26H37NO5
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Molecular weight: 443.60
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Smiles: CCC(C)CC(C)C=C(C)C=CC=CC(=O)C1=C(C(=CNC1=O)C2(CCC(CC2)O)O)O
n-deoxymilitarinone a
Names
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Mycotoxin name: n-deoxymilitarinone a
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First synonym: N-deoxymilitarinone a
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Synonyms: N-DEOXYMILITARINONE A,(+)-N-deoxymilitarinone A,CHEMBL481849
Identifiers / External links
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CAS: 881376-40-5
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PubChem CID: 54707854
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ChemSpiderID: 24534929
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ChEMBL: CHEMBL481849
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Chemical Entities of Biological Interest (CHEBI): CHEBI:203945
Structure
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Smiles: CCC(C)CC(C)C=C(C)C=CC=CC(=O)C1=C(C(=CNC1=O)C2(CCC(CC2)O)O)O
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Isomeric smiles: CC[C@@H](C)C[C@@H](C)/C=C(\C)/C=C/C=C/C(=O)C1=C(C(=CNC1=O)C2(CCC(CC2)O)O)O
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Inchi: InChI=1S/C26H37NO5/c1-5-17(2)14-19(4)15-18(3)8-6-7-9-22(29)23-24(30)21(16-27-25(23)31)26(32)12-10-20(28)11-13-26/h6-9,15-17,19-20,28,32H,5,10-14H2,1-4H3,(H2,27,30,31)/b8-6+,9-7+,18-15+/t17-,19-,20?,26?/m1/s1
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Inchikey: CFXXFGCOVLKQAW-ZUOACUPQSA-N
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2D structure:
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3D structure:
Physico-chemical properties
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Formula: C26H37NO5
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Molecular weight: 443.60
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Monoisotopic mass: 443.26717328
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Fungi
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Fungi id Species 709 Paecilomyces farinosus RCEF0097