Militarinone c
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Formula: C26H33NO4
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Molecular weight: 423.50
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Smiles: CCC(C)CC(C)C=C(C)C=CC=CC(=C1C(=O)C(NC1=O)CC2=CC=C(C=C2)O)O
Militarinone c
Names
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Mycotoxin name: Militarinone c
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First synonym: Militarinone c
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Synonyms: Militarinone C,CHEMBL513926,CHEBI:31852,C12335,AC1NQZI2,Q27114697,(3E)-5-[(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: 503584-84-7
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PubChem CID: 54691341
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ChemSpiderID: 4445322
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ChEMBL: CHEMBL513926
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Wikidata (wiki): Q27114697
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Chemical Entities of Biological Interest (CHEBI): CHEBI:31852
Structure
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Smiles: CCC(C)CC(C)C=C(C)C=CC=CC(=C1C(=O)C(NC1=O)CC2=CC=C(C=C2)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)CC2=CC=C(C=C2)O)/O
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Inchi: InChI=1S/C26H33NO4/c1-5-17(2)14-19(4)15-18(3)8-6-7-9-23(29)24-25(30)22(27-26(24)31)16-20-10-12-21(28)13-11-20/h6-13,15,17,19,22,28-29H,5,14,16H2,1-4H3,(H,27,31)/b8-6+,9-7+,18-15+,24-23+/t17-,19-,22?/m1/s1
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Inchikey: OHRSQSHXRITGEV-WNHHMECXSA-N
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2D structure:
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3D structure:
Physico-chemical properties
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Formula: C26H33NO4
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Molecular weight: 423.50
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Monoisotopic mass: 423.24095853
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Fungi
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Fungi id Species 713 Paecilomyces militaris