Herquline C
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Formula: C19H26N2O2
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Molecular weight: 314.40
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Smiles: CN1CC2CC3=CC(C4C=C(CCC4=O)CC1CN2)C(=O)CC3
Herquline C
Names
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Mycotoxin name: Herquline C
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First synonym: None
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Synonyms: herquline C,(+)-herquline C,CHEBI:229729,(1S,7R,8R,14S)-15-methyl-15,17-diazatetracyclo[12.2.2.1(3,7).1(8,12)]icosa-3(20),12(19)-diene-6,9-dione
Identifiers / External links
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PubChem CID: 138977813
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Chemical Entities of Biological Interest (CHEBI): CHEBI:229729
Structure
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Smiles: CN1CC2CC3=CC(C4C=C(CCC4=O)CC1CN2)C(=O)CC3
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Isomeric smiles: CN1C[C@@H]2CC3=C[C@H]([C@H]4C=C(CCC4=O)C[C@H]1CN2)C(=O)CC3
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Inchi: InChI=1S/C19H26N2O2/c1-21-11-14-6-12-2-4-18(22)16(8-12)17-9-13(3-5-19(17)23)7-15(21)10-20-14/h8-9,14-17,20H,2-7,10-11H2,1H3/t14-,15-,16+,17+/m0/s1
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Inchikey: IKEHAWAEPHQJSM-MWDXBVQZSA-N
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2D structure:
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3D structure:
Physico-chemical properties
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Formula: C19H26N2O2
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Molecular weight: 314.40
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Monoisotopic mass: 314.199428076
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Fungi
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Fungi id Species