Militarinone b
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Formula: C26H33NO5
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Molecular weight: 439.50
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Smiles: CCC(C)CC(C)C=C(C)C=CC=CC(=C1C(=O)C(NC1=O)C(C2=CC=C(C=C2)O)O)O
Militarinone b
Names
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Mycotoxin name: Militarinone b
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First synonym: Militarinone b
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Synonyms: Militarinone B,CHEBI:70184,CHEMBL478579,C12334,AC1NQZHZ,Q27104984,(3E)-5-[hydroxy-(4-hydroxyphenyl)methyl]-3-[(2E,4E,6E,8R,10R)-1-hydroxy-6,8,10-trimethyl-dodeca-2,4,6-trienylidene]pyrrolidine-2,4-dione
Identifiers / External links
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CAS: 503584-83-6
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PubChem CID: 54691340
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ChemSpiderID: 552870
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ChEMBL: CHEMBL478579
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Wikidata (wiki): Q27104984
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Chemical Entities of Biological Interest (CHEBI): CHEBI:70184
Structure
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Smiles: CCC(C)CC(C)C=C(C)C=CC=CC(=C1C(=O)C(NC1=O)C(C2=CC=C(C=C2)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(=C\1/C(=O)C(NC1=O)C(C2=CC=C(C=C2)O)O)/O
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Inchi: InChI=1S/C26H33NO5/c1-5-16(2)14-18(4)15-17(3)8-6-7-9-21(29)22-25(31)23(27-26(22)32)24(30)19-10-12-20(28)13-11-19/h6-13,15-16,18,23-24,28-30H,5,14H2,1-4H3,(H,27,32)/b8-6+,9-7+,17-15+,22-21+/t16-,18-,23?,24?/m1/s1
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Inchikey: NKHVQSJVSMTQID-YNUTZCEOSA-N
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2D structure:
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3D structure:
Physico-chemical properties
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Formula: C26H33NO5
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Molecular weight: 439.50
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Monoisotopic mass: 439.23587315
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Fungi
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Fungi id Species 713 Paecilomyces militaris