Chem
J-GLOBAL ID：200907086964807371   Nikkaji number：J238.584H

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

3,4′,5,7-テトラヒドロキシ-3′-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： C16H13O5[O+]
Molecular formula furigana： C16-H13-O6
Molecular weight： 301.273
InChI： InChI=1S/C16H12O6/c1-21-15-4-8(2-3-11(15)18)16-13(20)7-10-12(19)5-9(17)6-14(10)22-16/h2-7H,1H3,(H3-,17,18,19,20)/p+1
InChI key： XFDQJKDGGOEYPI-UHFFFAOYSA-O
SMILES： COc1cc(ccc1O)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-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′-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-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-methoxyphenyl)-1λ4-chromen-1-ylium
Other name (2)：
  • 3,5,7-Trihydroxy-2-(4-hydroxy-3-methoxyphenyl)-1-benzopyrylium
  • 3,4′,5,7-Tetrahydroxy-3′-methoxyflavylium
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