Epicoccin g
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Formula: C20H26N2O6S2
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Molecular weight: 454.60
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Smiles: CSC12CC3C(N1C(=O)C4(CC5C(N4C2=O)C(CCC5=O)O)SC)C(CCC3=O)O
Epicoccin g
Names
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Mycotoxin name: Epicoccin g
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First synonym: Epicoccin g
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Synonyms: epicoccin G,Ent-Epicoccin G,CHEMBL1079829
Identifiers / External links
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CAS: 1196688-69-3
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PubChem CID: 44614134
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ChemSpiderID: 24659256
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ChEMBL: CHEMBL1079829
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Chemical Entities of Biological Interest (CHEBI): CHEBI:198032
Structure
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Smiles: CSC12CC3C(N1C(=O)C4(CC5C(N4C2=O)C(CCC5=O)O)SC)C(CCC3=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](CCC5=O)O)SC)[C@H](CCC3=O)O
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Inchi: InChI=1S/C20H26N2O6S2/c1-29-19-7-9-11(23)3-5-13(25)15(9)21(19)18(28)20(30-2)8-10-12(24)4-6-14(26)16(10)22(20)17(19)27/h9-10,13-16,25-26H,3-8H2,1-2H3/t9-,10-,13-,14-,15-,16-,19+,20+/m0/s1
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Inchikey: FZVZQZDYZWKKHU-RIJSRGPQSA-N
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2D structure:
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3D structure:
Physico-chemical properties
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Formula: C20H26N2O6S2
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Molecular weight: 454.60
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Monoisotopic mass: 454.1232289
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Fungi
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Fungi id Species 500 Epicoccum nigrum