A26771a
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Formula: C14H16N2O3S2
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Molecular weight: 324.40
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Smiles: CN1C(=O)C2(N(C(=O)C1(SS2)CC3=CC=CC=C3)C)CO
A26771a
Names
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Mycotoxin name: A26771a
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First synonym: A26771a
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Synonyms: A26771A,(1R,4R)-1-Hydroxymethyl-5,7-dimethyl-4-phenylmethyl-2,3-dithia-5,7-diazabicyclo[2.2.2]octane-6,8-dione
Identifiers / External links
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PubChem CID: 101821156
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ChemSpiderID: 78437052
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Chemical Entities of Biological Interest (CHEBI): CHEBI:203748
Structure
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Smiles: CN1C(=O)C2(N(C(=O)C1(SS2)CC3=CC=CC=C3)C)CO
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Isomeric smiles: CN1C(=O)[C@@]2(N(C(=O)[C@]1(SS2)CC3=CC=CC=C3)C)CO
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Inchi: InChI=1S/C14H16N2O3S2/c1-15-12(19)14(9-17)16(2)11(18)13(15,20-21-14)8-10-6-4-3-5-7-10/h3-7,17H,8-9H2,1-2H3/t13-,14-/m1/s1
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Inchikey: SJRIMIDQFZMJPZ-ZIAGYGMSSA-N
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2D structure:
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3D structure:
Physico-chemical properties
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Formula: C14H16N2O3S2
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Molecular weight: 324.40
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Monoisotopic mass: 324.06023472
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Fungi
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Fungi id Species 987 Penicillium turbatum