Militarinone a
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Formula: C26H37NO6
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Molecular weight: 459.60
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Smiles: CCC(C)CC(C)C=C(C)C=CC=CC(=O)C1=C(C(=CN(C1=O)O)C2(CCC(CC2)O)O)O
Militarinone a
Names
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Mycotoxin name: Militarinone a
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First synonym: Militarinone a
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Synonyms: Militarinone A,CHEBI:31850,5-(cis-1,4-dihydroxycyclohexyl)-1,4-dihydroxy-3-[(2E,4E,6E,8R,10R)-6,8,10-trimethyldodeca-2,4,6-trienoyl]pyridin-2(1H)-one,CHEMBL1669196,Q27104204
Identifiers / External links
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PubChem CID: 54691339
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ChemSpiderID: 4445320
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ChEMBL: CHEMBL4750025,CHEMBL1669196
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Wikidata (wiki): Q27104204
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Chemical Entities of Biological Interest (CHEBI): CHEBI:31850
Structure
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Smiles: CCC(C)CC(C)C=C(C)C=CC=CC(=O)C1=C(C(=CN(C1=O)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(=CN(C1=O)O)C2(CCC(CC2)O)O)O
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Inchi: InChI=1S/C26H37NO6/c1-5-17(2)14-19(4)15-18(3)8-6-7-9-22(29)23-24(30)21(16-27(33)25(23)31)26(32)12-10-20(28)11-13-26/h6-9,15-17,19-20,28,30,32-33H,5,10-14H2,1-4H3/b8-6+,9-7+,18-15+/t17-,19-,20?,26?/m1/s1
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Inchikey: TURMFSNDIZERMD-ZUOACUPQSA-N
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2D structure:
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3D structure:
Physico-chemical properties
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Formula: C26H37NO6
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Molecular weight: 459.60
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Monoisotopic mass: 459.2620879
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Fungi
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Fungi id Species 713 Paecilomyces militaris