Sporidesmin E
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Formula: C18H20ClN3O6S3
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Molecular weight: 506.00
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Smiles: CC12C(=O)N3C4C(C(C3(C(=O)N1C)SSS2)O)(C5=CC(=C(C(=C5N4C)OC)OC)Cl)O
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Type: Epipolythiopiperazine-3,6-dione
Sporidesmin E
Names
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Mycotoxin name: Sporidesmin E
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First synonym: None
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Synonyms: sporidesmin E,22327-77-1,UNII-7E8A3B9UZJ,7E8A3B9UZJ,(+/-)-SPORIDESMIN E,6-chloro-2,3-dihydroxy-7,8-dimethoxy-10,14,19-trimethyl-15,16,17-trithia-10,12,19-triazapentacyclo[12.3.2.01,12.03,11.04,9]nonadeca-4,6,8-triene-13,18-dione,SPORIDESMIN E, (+/)-,4,12a-(Iminomethano)-12aH-(1,2,3,5)trithiazepino(4',5':5,1)pyrrolo(2,3-b)indole-5,13(4H)-dione, 10-chloro-6a,7,11b,12-tetrachloro-11b,12-dihydroxy-8,9-dimethoxy-4,7,14-trimethyl-,4,12A-(IMINOMETHANO)-12AH-(1,2,3,5)TRITHIAZEPINO(5',4':1,5)PYRROLO(2,3-B)INDOLE-5,13(4H)-DIONE, 10-CHLORO-6A,7,11B,12-TETRAHYDRO-11B,12-DIHYDROXY-8,9-DIMETHOXY-4,7,14-TRIMETHYL-,6-chloro-2,3-dihydroxy-7,8-dimethoxy-10,14,19-trimethyl-15,16,17-trithia-10,12,19-triazapentacyclo(12.3.2.01,12.03,11.04,9)nonadeca-4,6,8-triene-13,18-dione,DTXSID00944975,CHEBI:218302,Q27268142,10-Chloro-11b,12-dihydroxy-8,9-dimethoxy-4,7,14-trimethyl-6a,7,11b,12-tetrahydro-4,12a-(epiminomethano)[1,2,3,5]trithiazepino[5',4':1,5]pyrrolo[2,3-b]indole-5,13(4H)-dione
Identifiers / External links
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CAS: 22327-77-1
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PubChem CID: 3084369
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US FDA (UNII): UNII-7E8A3B9UZJ
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Wikidata (wiki): Q27268142
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Chemical Entities of Biological Interest (CHEBI): CHEBI:218302
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CompTox Chemicals Dashboard (DTXSID): DTXSID00944975
Structure
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Smiles: CC12C(=O)N3C4C(C(C3(C(=O)N1C)SSS2)O)(C5=CC(=C(C(=C5N4C)OC)OC)Cl)O
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Isomeric smiles: CC12C(=O)N3C4C(C(C3(C(=O)N1C)SSS2)O)(C5=CC(=C(C(=C5N4C)OC)OC)Cl)O
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Inchi: InChI=1S/C18H20ClN3O6S3/c1-16-14(24)22-13-17(26,12(23)18(22,30-31-29-16)15(25)21(16)3)7-6-8(19)10(27-4)11(28-5)9(7)20(13)2/h6,12-13,23,26H,1-5H3
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Inchikey: NAEONKBZNXPTMI-UHFFFAOYSA-N
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2D structure:
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3D structure:
Physico-chemical properties
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Formula: C18H20ClN3O6S3
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Molecular weight: 506.00
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Monoisotopic mass: 505.0202766
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Fungi
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Fungi id Species