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6-methoxymellein

  • Formula: C11H12O4

  • Molecular weight: 208.21

  • Smiles: CC1CC2=C(C(=CC(=C2)OC)O)C(=O)O1

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6-methoxymellein

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

  • Mycotoxin name: 6-methoxymellein

  • First synonym: 6-methoxymellein

  • Synonyms: 6-Methoxymellein,13410-15-6,(R)-6-methoxymellein,UNII-424N0263W4,(R)-(-)-6-methoxymellein,CHEBI:2212,424N0263W4,Isocoumarin, 3,4-dihydro-8-hydroxy-6-methoxy-3-methyl-, (R)-(-)-,(3R)-8-hydroxy-6-methoxy-3-methyl-3,4-dihydro-1H-isochromen-1-one,(-)-6-Methoxymellein,(3R)-6-Methoxymellein,8-hydroxy-6-methoxy-3-methyl-3,4-dihydro-1H-2-benzopyran-1-one,8-Hydroxy-6-methoxy-3-methyl-3,4-dihydro-1H-isochromen-1-one #,CHEMBL449604,SCHEMBL2314134,DTXSID90928441,ZINC4095850,1H-2-Benzopyran-1-one, 3,4-dihydro-8-hydroxy-6-methoxy-3-methyl-, (R)-,C02381

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Structure

  • Smiles: CC1CC2=C(C(=CC(=C2)OC)O)C(=O)O1

  • Isomeric smiles: C[C@@H]1CC2=C(C(=CC(=C2)OC)O)C(=O)O1

  • Inchi: InChI=1S/C11H12O4/c1-6-3-7-4-8(14-2)5-9(12)10(7)11(13)15-6/h4-6,12H,3H2,1-2H3/t6-/m1/s1

  • Inchikey: AIFNAMVERSBWPS-ZCFIWIBFSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C11H12O4

  • Molecular weight: 208.21

  • Monoisotopic mass: 208.07355886

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