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Betagarin

  • Formula: C18H16O6

  • Molecular weight: 328.30

  • Smiles: COC1=CC=CC=C1C2CC(=O)C3=C(C4=C(C=C3O2)OCO4)OC

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Betagarin

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

Names

  • Mycotoxin name: Betagarin

  • First synonym: Betagarin

  • Synonyms: Betagarin,UNII-3BFX11EU44,60132-69-6,3BFX11EU44,5,2'-Dimethoxy-6,7-methylenedioxyflavanone,(6S)-9-methoxy-6-(2-methoxyphenyl)-6,7-dihydro-[1,3]dioxolo[4,5-g]chromen-8-one,C09479,2',5-Dimethoxy-6,7-methylenedioxyflavanone, (S)-,CHEBI:27679,DTXSID80331783,LMPK12140599,8H-1,3-Dioxolo(4,5-g)(1)benzopyran-8-one, 6,7-dihydro-9-methoxy-6-(2-methoxyphenyl)-, (6S)-,Q27103260,(6S)-9-methoxy-6-(2-methoxyphenyl)-6,7-dihydro-8H-[1,3]dioxolo[4,5-g]chromen-8-one

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Structure

  • Smiles: COC1=CC=CC=C1C2CC(=O)C3=C(C4=C(C=C3O2)OCO4)OC

  • Isomeric smiles: COC1=CC=CC=C1[C@@H]2CC(=O)C3=C(C4=C(C=C3O2)OCO4)OC

  • Inchi: InChI=1S/C18H16O6/c1-20-12-6-4-3-5-10(12)13-7-11(19)16-14(24-13)8-15-17(18(16)21-2)23-9-22-15/h3-6,8,13H,7,9H2,1-2H3/t13-/m0/s1

  • Inchikey: IHPVFYLOGNNZLA-ZDUSSCGKSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C18H16O6

  • Molecular weight: 328.30

  • Monoisotopic mass: 328.09468823

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