Chem
J-GLOBAL ID：200907016891869154   Nikkaji number：J16.779G

Pedalitin

ペダリチン
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： C16H12O7
Molecular formula furigana： C16-H12-O7
Molecular weight： 316.265
InChI： InChI=1S/C16H12O7/c1-22-13-6-12-14(16(21)15(13)20)10(19)5-11(23-12)7-2-3-8(17)9(18)4-7/h2-6,17-18,20-21H,1H3
InChI key： QWUHUBDKQQPMQG-UHFFFAOYSA-N
SMILES： COc1cc2oc(cc(=O)c2c(O)c1O)c1ccc(O)c(O)c1
Systematic name  (4)：
  • 3′,4′,5,6-テトラヒドロキシ-7-メトキシフラボン
  • 2-(3,4-ジヒドロキシフェニル)-5,6-ジヒドロキシ-7-メトキシ-4H-1-ベンゾピラン-4-オン
  • 2-(3,4-ジヒドロキシフェニル)-5,6-ジヒドロキシ-7-メトキシ-4H-クロメン-4-オン
  • 2-(3,4-dihydroxyphenyl)-5,6-dihydroxy-7-methoxy-4H-chromen-4-one
Other name (4)：
  • ペダリチン
  • Pedalitin
  • 3′,4′,5,6-Tetrahydroxy-7-methoxyflavone
  • 2-(3,4-Dihydroxyphenyl)-5,6-dihydroxy-7-methoxy-4H-1-benzopyran-4-one
CAS registry number： 22384-63-0
Regulation number (1)：
  • LK9275430
KEGG COMPOUND： C10119
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