Chem
J-GLOBAL ID：200907013974440193   Nikkaji number：J69.707I

3,4′,5,7-Tetrahydroxy-3′,5′-dimethoxyflavylium

3,4′,5,7-テトラヒドロキシ-3′,5′-ジメトキシフラビリウム
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C17H15O6[O+]
Molecular formula furigana： C17-H15-O7
Molecular weight： 331.299
InChI： InChI=1S/C17H14O7/c1-22-14-3-8(4-15(23-2)16(14)21)17-12(20)7-10-11(19)5-9(18)6-13(10)24-17/h3-7H,1-2H3,(H3-,18,19,20,21)/p+1
InChI key： KZMACGJDUUWFCH-UHFFFAOYSA-O
SMILES： COc1cc(cc(OC)c1O)c1[o+]c2cc(O)cc(O)c2cc1O
Systematic name  (4)：
  • 3,5,7-トリヒドロキシ-2-(4-ヒドロキシ-3,5-ジメトキシフェニル)-1-ベンゾピリリウム
  • 3,4′,5,7-テトラヒドロキシ-3′,5′-ジメトキシフラビリウム
  • 3,5,7-トリヒドロキシ-2-(4-ヒドロキシ-3,5-ジメトキシフェニル)-1λ4-クロメン-1-イリウム
  • 3,5,7-trihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-1λ4-chromen-1-ylium
Other name (1)：
  • 3,4′,5,7-Tetrahydroxy-3′,5′-dimethoxyflavylium
CAS registry number： 10463-84-0
Regulation number (1)：
  • LK9840000
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