Dothistromin
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Formula: C18H12O9
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Molecular weight: 372.30
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Smiles: C1C(OC2C1(C3=C(O2)C=C4C(=C3O)C(=O)C5=C(C=CC(=C5C4=O)O)O)O)O
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Type: Aflatoxin
Dothistromin
Names
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Mycotoxin name: Dothistromin
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First synonym: Dothistromin
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Synonyms: Dothistromin,UNII-27USW980DL,31456-72-1,27USW980DL,(4R,6R,8S)-2,4,6,15,18-pentahydroxy-7,9-dioxapentacyclo[10.8.0.03,10.04,8.014,19]icosa-1,3(10),11,14,16,18-hexaene-13,20-dione,Anthra(2,3-b)furo(3,2-d)furan-5,10-dione, 2,3,3a,12a-tetrahydro-2,3a,4,6,9-pentahydroxy-, (2R,3aR,12aS)-,Anthra(2,3-b)furo(3,2-d)furan-5,10-dione, 2,3,3a,12a-tetrahydro-2,3a,4,6,9-pentahydroxy-, stereoisomer,CHEBI:4704,DTXSID50953471,Q27106442,2,3a,4,6,9-Pentahydroxy-2,3,3a,12a-tetrahydroanthra[2,3-b]furo[3,2-d]furan-5,10-dione
Identifiers / External links
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CAS: 31456-72-1
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PubChem CID: 108014
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ChemSpiderID: 97126
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US FDA (UNII): UNII-27USW980DL
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Wikidata (wiki): Q27106442
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Chemical Entities of Biological Interest (CHEBI): CHEBI:4704
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CompTox Chemicals Dashboard (DTXSID): DTXSID50953471
Structure
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Smiles: C1C(OC2C1(C3=C(O2)C=C4C(=C3O)C(=O)C5=C(C=CC(=C5C4=O)O)O)O)O
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Isomeric smiles: C1[C@@H](O[C@H]2[C@@]1(C3=C(O2)C=C4C(=C3O)C(=O)C5=C(C=CC(=C5C4=O)O)O)O)O
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Inchi: InChI=1S/C18H12O9/c19-6-1-2-7(20)12-11(6)14(22)5-3-8-13(16(24)10(5)15(12)23)18(25)4-9(21)27-17(18)26-8/h1-3,9,17,19-21,24-25H,4H2/t9-,17+,18-/m1/s1
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Inchikey: FBPGRTYADYGYRG-AHBCHLHISA-N
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2D structure:
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3D structure:
Physico-chemical properties
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Formula: C18H12O9
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Molecular weight: 372.30
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Monoisotopic mass: 372.04813196
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Fungi
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Fungi id Species