Chem
J-GLOBAL ID:200907002818886058   Nikkaji number:J69.706K

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

3,3′,4′,5,7-ペンタヒドロキシ-5′-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: C16H13O6[O+]
Molecular formula furigana: C16-H13-O7
Molecular weight: 317.272
InChI: InChI=1S/C16H12O7/c1-22-14-3-7(2-11(19)15(14)21)16-12(20)6-9-10(18)4-8(17)5-13(9)23-16/h2-6H,1H3,(H4-,17,18,19,20,21)/p+1
InChI key: AFOLOMGWVXKIQL-UHFFFAOYSA-O
SMILES: COc1cc(cc(O)c1O)c1[o+]c2cc(O)cc(O)c2cc1O
Systematic name  (5):
  • 3,5,7-トリヒドロキシ-2-(3,4-ジヒドロキシ-5-メトキシフェニル)-1-ベンゾピリリウム
  • 2-(3,4-ジヒドロキシ-5-メトキシフェニル)-3,5,7-トリヒドロキシ-1-ベンゾピリリウム
  • 3,3′,4′,5,7-ペンタヒドロキシ-5′-メトキシフラビリウム
  • 2-(3,4-ジヒドロキシ-5-メトキシフェニル)-3,5,7-トリヒドロキシ-1λ4-クロメン-1-イリウム
  • 2-(3,4-dihydroxy-5-methoxyphenyl)-3,5,7-trihydroxy-1λ4-chromen-1-ylium
Other name (1):
  • 3,3′,4′,5,7-Pentahydroxy-5′-methoxyflavylium
Regulation number (1):
  • LK9830000
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