Epicoccin h
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Formula: C20H26N2O8S2
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Molecular weight: 486.60
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Smiles: CSC12CC3C(N1C(=O)C4(CC5C(N4C2=O)C(C(CC5=O)O)O)SC)C(C(CC3=O)O)O
Epicoccin h
Names
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Mycotoxin name: Epicoccin h
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First synonym: Epicoccin h
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Synonyms: epicoccin H,CHEMBL1079828,tetrahydroxy-bis(methylsulfanyl)[?]tetrone
Identifiers / External links
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CAS: 1196688-70-6
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PubChem CID: 44614254
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ChemSpiderID: 24659255
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ChEMBL: CHEMBL1079828
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Chemical Entities of Biological Interest (CHEBI): CHEBI:215074
Structure
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Smiles: CSC12CC3C(N1C(=O)C4(CC5C(N4C2=O)C(C(CC5=O)O)O)SC)C(C(CC3=O)O)O
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Isomeric smiles: CS[C@@]12C[C@@H]3[C@H](N1C(=O)[C@@]4(C[C@@H]5[C@H](N4C2=O)[C@H]([C@H](CC5=O)O)O)SC)[C@H]([C@H](CC3=O)O)O
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Inchi: InChI=1S/C20H26N2O8S2/c1-31-19-5-7-9(23)3-11(25)15(27)13(7)21(19)18(30)20(32-2)6-8-10(24)4-12(26)16(28)14(8)22(20)17(19)29/h7-8,11-16,25-28H,3-6H2,1-2H3/t7-,8-,11-,12-,13-,14-,15-,16-,19+,20+/m0/s1
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Inchikey: KIFUAYSXLVXNEJ-ZHJPTRFQSA-N
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2D structure:
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3D structure:
Physico-chemical properties
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Formula: C20H26N2O8S2
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Molecular weight: 486.60
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Monoisotopic mass: 486.11305814
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Fungi
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Fungi id Species 500 Epicoccum nigrum