Sporidesmin F
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Formula: C19H22ClN3O6S
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Molecular weight: 455.90
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Smiles: CN1C2C(C(C3(N2C(=O)C(=C)N(C3=O)C)SC)O)(C4=CC(=C(C(=C41)OC)OC)Cl)O
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Type: Epipolythiopiperazine-3,6-dione
Sporidesmin F
Names
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Mycotoxin name: Sporidesmin F
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First synonym: None
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Synonyms: sporidesmin F,UNII-E4MOI6F03Y,E4MOI6F03Y,23044-40-8,(+/-)-SPORIDESMIN F,2H-Pyrazino(1',2':1,5)pyrrolo(2,3-b)indole-1,4(3H,6H)-dione, 9-chloro-5a,10b,11,11a-tetrahydro-10b,11-dihydroxy-7,8-dimethoxy-2,6-dimethyl-3-methylene-11a-(methylthio)-,SPORIDESMIN F, (+/-)-,12-chloro-8,9-dihydroxy-13,14-dimethoxy-5,16-dimethyl-4-methylidene-7-methylsulfanyl-2,5,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-10,12,14-triene-3,6-dione,12-chloro-8,9-dihydroxy-13,14-dimethoxy-5,16-dimethyl-4-methylidene-7-methylsulfanyl-2,5,16-triazatetracyclo(7.7.0.02,7.010,15)hexadeca-10,12,14-triene-3,6-dione,DTXSID00945725,CHEBI:219298,Q27276862,12-chloro-8,9-dihydroxy-13,14-dimethoxy-5,16-dimethyl-4-methylidene-7-methylsulanyl-2,5,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-10,12,14-triene-3,6-dione,9-Chloro-10b,11-dihydroxy-7,8-dimethoxy-2,6-dimethyl-3-methylidene-11a-(methylsulfanyl)-6,10b,11,11a-tetrahydro-2H-pyrazino[1',2':1,5]pyrrolo[2,3-b]indole-1,4(3H,5aH)-dione
Identifiers / External links
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CAS: 23044-40-8
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PubChem CID: 12442966
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US FDA (UNII): UNII-E4MOI6F03Y
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Wikidata (wiki): Q27276862
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Chemical Entities of Biological Interest (CHEBI): CHEBI:219298
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CompTox Chemicals Dashboard (DTXSID): DTXSID00945725
Structure
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Smiles: CN1C2C(C(C3(N2C(=O)C(=C)N(C3=O)C)SC)O)(C4=CC(=C(C(=C41)OC)OC)Cl)O
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Isomeric smiles: CN1C2C(C(C3(N2C(=O)C(=C)N(C3=O)C)SC)O)(C4=CC(=C(C(=C41)OC)OC)Cl)O
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Inchi: InChI=1S/C19H22ClN3O6S/c1-8-14(24)23-16-18(27,15(25)19(23,30-6)17(26)21(8)2)9-7-10(20)12(28-4)13(29-5)11(9)22(16)3/h7,15-16,25,27H,1H2,2-6H3
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Inchikey: CHLALSASKWYQEZ-UHFFFAOYSA-N
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2D structure:
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3D structure:
Physico-chemical properties
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Formula: C19H22ClN3O6S
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Molecular weight: 455.90
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Monoisotopic mass: 455.0917843
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Fungi
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Fungi id Species