Chem
J-GLOBAL ID：200907079628058844   Nikkaji number：J431.523E

[3-(4-Hydroxyphenyl)-4-oxo-5-hydroxy-4H-1-benzopyran-7-yl]6-O-carboxyacetyl-β-D-glucopyranoside

[3-(4-ヒドロキシフェニル)-4-オキソ-5-ヒドロキシ-4H-1-ベンゾピラン-7-イル]6-O-カルボキシアセチル-β-D-グルコピラノシド
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： C24H21O12[O-]
Molecular formula furigana： C24-H21-O13
Molecular weight： 517.419
InChI： InChI=1S/C24H21O13/c25-11-3-1-9(2-4-11)12-7-35-14-6-10(5-13(26)17(14)18(12)27)16(22(31)32)23(33)36-8-15-19(28)20(29)21(30)24(34)37-15/h1-7,15-16,19-21,24-26,28-30H,8H2,(H,31,32)/q-1/t15-,16?,19-,20+,21-,24-/m1/s1
InChI key： RYWCZSYWRNWGCJ-SOMKKVQBSA-N
SMILES： O[C@H]1[C@H]([O-])O[C@H](COC(=O)C(C(=O)O)c2cc(O)c3c(c2)occ(c2ccc(O)cc2)c3=O)[C@@H](O)[C@@H]1O
Systematic name  (3)：
  • [3-(4-ヒドロキシフェニル)-4-オキソ-5-ヒドロキシ-4H-1-ベンゾピラン-7-イル]6-O-カルボキシアセチル-β-D-グルコピラノシド
  • (2R,3R,4S,5S,6R)-6-[({2-カルボキシ-2-[5-ヒドロキシ-3-(4-ヒドロキシフェニル)-4-オキソ-4H-クロメン-7-イル]アセチル}オキシ)メチル]-3,4,5-トリヒドロキシオキサン-2-オラート
  • (2R,3R,4S,5S,6R)-6-[({2-carboxy-2-[5-hydroxy-3-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl]acetyl}oxy)methyl]-3,4,5-trihydroxyoxan-2-olate
Other name (1)：
  • [3-(4-Hydroxyphenyl)-4-oxo-5-hydroxy-4H-1-benzopyran-7-yl]6-O-carboxyacetyl-β-D-glucopyranoside
Thsaurus map：
Thesaurus Map

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