Chem
J-GLOBAL ID：200907078686062294   Nikkaji number：J94.552H

Gossypin

ゴッシピン
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： C21H20O13
Molecular formula furigana： C21-H20-O13
Molecular weight： 480.378
InChI： InChI=1S/C21H20O13/c22-5-11-13(27)15(29)17(31)21(32-11)34-19-10(26)4-9(25)12-14(28)16(30)18(33-20(12)19)6-1-2-7(23)8(24)3-6/h1-4,11,13,15,17,21-27,29-31H,5H2/t11-,13-,15+,17-,21+/m1/s1
InChI key： SJRXVLUZMMDCNG-KKPQBLLMSA-N
SMILES： OC[C@H]1O[C@@H](Oc2c(O)cc(O)c3c2oc(c2ccc(O)c(O)c2)c(O)c3=O)[C@H](O)[C@@H](O)[C@@H]1O
Systematic name  (3)：
  • 8-[(β-D-グルコピラノシル)オキシ]-3,3′,4′,5,7-ペンタヒドロキシフラボン
  • 2-(3,4-ジヒドロキシフェニル)-3,5,7-トリヒドロキシ-8-{[(2S,3R,4S,5S,6R)-3,4,5-トリヒドロキシ-6-(ヒドロキシメチル)オキサン-2-イル]オキシ}-4H-クロメン-4-オン
  • 2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-8-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4H-chromen-4-one
Other name (3)：
  • ゴッシピン
  • Gossypin
  • 8-[(β-D-Glucopyranosyl)oxy]-3,3′,4′,5,7-pentahydroxyflavone
CAS registry number： 652-78-8
KEGG COMPOUND： C10051
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