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Aflatoxicol b

  • Formula: C17H14O6

  • Molecular weight: 314.29

  • Smiles: COC1=C2C3=C(C(CC3)O)C(=O)OC2=C4C5C=COC5OC4=C1

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Aflatoxicol b

Names
Structural Information
Physico-chemical Properties
ADME
Toxicity
Medical Chemistry
Fungi

Names

  • Mycotoxin name: Aflatoxicol b

  • First synonym: Aflatoxicol b

  • Synonyms: Aflatoxicol B,(1R)-Aflatoxicol,61740-00-9,Aflatoxin Ro',Aflatoxicol, unnatural,CCRIS 2787,Cyclopenta(c)furo(3',2':4,5)furo(2,3-h)(1)benzopyran-11(1H)-one, 2,3,6a,9a-tetrahydro-1-hydroxy-4-methoxy-, (1R-(1-alpha,6a-alpha,9a-alpha))-,DTXSID60210744

Identifiers / External links

  • CAS: 61740-00-9

  • PubChem CID: 151740

  • DSS TOX CID: DTXCID90133235

  • ChemSpiderID: 133738

  • CompTox Chemicals Dashboard (DTXSID): DTXSID60210744

Structure

  • Smiles: COC1=C2C3=C(C(CC3)O)C(=O)OC2=C4C5C=COC5OC4=C1

  • Isomeric smiles: COC1=C2C3=C([C@@H](CC3)O)C(=O)OC2=C4[C@@H]5C=CO[C@@H]5OC4=C1

  • Inchi: InChI=1S/C17H14O6/c1-20-10-6-11-14(8-4-5-21-17(8)22-11)15-13(10)7-2-3-9(18)12(7)16(19)23-15/h4-6,8-9,17-18H,2-3H2,1H3/t8-,9+,17+/m0/s1

  • Inchikey: WYIWLDSPNDMZIT-MRAOVIAESA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C17H14O6

  • Molecular weight: 314.29

  • Monoisotopic mass: 314.07903816

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Fungi

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