Altertoxin III
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Formula: C20H12O6
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Molecular weight: 348.30
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Smiles: C1=CC(=C2C3=C1C4C5C(O5)C(=O)C6=C(C=CC(=C46)C3C7C(C2=O)O7)O)O
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Type: Alternaria toxin
Altertoxin III
Names
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Mycotoxin name: Altertoxin III
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First synonym: None
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Synonyms: Altertoxin III,105579-74-6,CCRIS 2192,(2S,3R,5R,12S,13R,15R)-8,18-dihydroxy-4,14-dioxaheptacyclo[10.8.1.12,7.03,5.013,15.017,21.011,22]docosa-1(21),7,9,11(22),17,19-hexaene-6,16-dione,Perylo(1,2-b:7,8-b')bisoxirene-5,10-dione, 1a,1b,5a,6a,6b,10a-hexahydro-4,9-dihydroxy-, (1aR,1bS,5aR,6aR,6bS,10aR)-,Perylo(1,2-b:7,8-b')bisoxirene-5,10-dione, 1a,1b,5a,6a,6b,10a-hexahydro-4,9-dihydroxy-, (1aR-(1a-alpha,1b-beta,5a-alpha,6a-alpha,6b-beta,10a-alpha))-,(2S,3R,5R,12S,13R,15R)-8,18-dihydroxy-4,14-dioxaheptacyclo(10.8.1.12,7.03,5.013,15.017,21.011,22)docosa-1(21),7,9,11(22),17,19-hexaene-6,16-dione,CHEMBL3338990,SCHEMBL17860076,DTXSID50909615,CHEBI:226194,NS00120702,Q26840814,4,9-Dihydroxy-1a,1b,5a,6a,6b,10a-hexahydroperylo[1,2-b:7,8-b']bisoxirene-5,10-dione,Perylo(1,2-b:7,8-b')bisoxirene-5,10-dione, 1a,1b,5a,6a,6b,10a-hexahydro-4,9-dihydroxy-
Identifiers / External links
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CAS: 105579-74-6
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PubChem CID: 114895
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ChEMBL: CHEMBL17860076,CHEMBL3338990
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Wikidata (wiki): Q26840814
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Chemical Entities of Biological Interest (CHEBI): CHEBI:226194
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CompTox Chemicals Dashboard (DTXSID): DTXSID50909615
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SCHEMBL: SCHEMBL17860076
Structure
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Smiles: C1=CC(=C2C3=C1C4C5C(O5)C(=O)C6=C(C=CC(=C46)C3C7C(C2=O)O7)O)O
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Isomeric smiles: C1=CC(=C2C3=C1[C@@H]4[C@@H]5[C@@H](O5)C(=O)C6=C(C=CC(=C46)[C@@H]3[C@@H]7[C@H](C2=O)O7)O)O
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Inchi: InChI=1S/C20H12O6/c21-7-3-1-5-9-12(18-20(26-18)15(23)13(7)9)6-2-4-8(22)14-10(6)11(5)17-19(25-17)16(14)24/h1-4,11-12,17-22H/t11-,12-,17+,18+,19-,20-/m0/s1
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Inchikey: CJGDIPRCPKGNLW-AHYXFKKWSA-N
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2D structure:
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3D structure:
Physico-chemical properties
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Formula: C20H12O6
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Molecular weight: 348.30
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Monoisotopic mass: 348.0633881
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Fungi
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Fungi id Species 30 Alternaria alternata