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(ar)-2'-methoxyvinaxanthone

  • Formula: C29H18O15

  • Molecular weight: 606.40

  • Smiles: CC(=O)C1=C(C(=C2C(=C1)C(=O)C3=C(O2)C=C(C(=C3C(=O)O)O)O)C(=O)C)C4=C(OC5=C(C4=O)C(=C(C(=C5)O)O)C(=O)O)OC

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(ar)-2'-methoxyvinaxanthone

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

  • Mycotoxin name: (ar)-2'-methoxyvinaxanthone

  • First synonym: (ar)-2'-methoxyvinaxanthone

  • Synonyms: (aR)-2'-Methoxyvinaxanthone,CHEMBL448083,2,3-Dihydroxy-5,7-diacetyl-6-(2-methoxy-4-oxo-5-carboxy-6,7-dihydroxy-4H-1-benzopyran-3-yl)-9-oxo-9H-xanthene-1-carboxylic acid

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Structure

  • Smiles: CC(=O)C1=C(C(=C2C(=C1)C(=O)C3=C(O2)C=C(C(=C3C(=O)O)O)O)C(=O)C)C4=C(OC5=C(C4=O)C(=C(C(=C5)O)O)C(=O)O)OC

  • Isomeric smiles: CC(=O)C1=C(C(=C2C(=C1)C(=O)C3=C(O2)C=C(C(=C3C(=O)O)O)O)C(=O)C)C4=C(OC5=C(C4=O)C(=C(C(=C5)O)O)C(=O)O)OC

  • Inchi: InChI=1S/C29H18O15/c1-7(30)9-4-10-22(34)17-13(5-11(32)23(35)19(17)27(38)39)43-26(10)15(8(2)31)16(9)21-25(37)18-14(44-29(21)42-3)6-12(33)24(36)20(18)28(40)41/h4-6,32-33,35-36H,1-3H3,(H,38,39)(H,40,41)

  • Inchikey: HYNJWQUNCFKEGY-UHFFFAOYSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C29H18O15

  • Molecular weight: 606.40

  • Monoisotopic mass: 606.06456986

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