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Chem
J-GLOBAL ID:200907014183515404   Nikkaji number:J2.092.381D

Formononetin 7-O-β-D-glucoside 4′′-O-malonate

ホルモノネチン7-O-β-D-グルコシド4′′-O-マロナート
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: C25H24O12
Molecular formula furigana: C25-H24-O12
Molecular weight: 516.455
InChI: InChI=1S/C25H24O12/c1-33-13-4-2-12(3-5-13)16-11-34-17-8-14(6-7-15(17)21(16)30)35-25-23(32)22(31)24(18(10-26)36-25)37-20(29)9-19(27)28/h2-8,11,18,22-26,31-32H,9-10H2,1H3,(H,27,28)/t18-,22-,23-,24-,25-/m1/s1
InChI key: QMHKWODSZRYFTD-FSIWAFGDSA-N
SMILES: COc1ccc(cc1)c1coc2cc(O[C@@H]3O[C@H](CO)[C@@H](OC(=O)CC(=O)O)[C@H](O)[C@H]3O)ccc2c1=O
Systematic name  (3):
  • 3-(4-メトキシフェニル)-7-[4-O-(3-ヒドロキシ-1,3-ジオキソプロピル)-β-D-グルコピラノシルオキシ]-4H-1-ベンゾピラン-4-オン
  • 3-{[(2R,3S,4R,5R,6S)-4,5-ジヒドロキシ-2-(ヒドロキシメチル)-6-{[3-(4-メトキシフェニル)-4-オキソ-4H-クロメン-7-イル]オキシ}オキサン-3-イル]オキシ}-3-オキソプロパン酸
  • 3-{[(2R,3S,4R,5R,6S)-4,5-dihydroxy-2-(hydroxymethyl)-6-{[3-(4-methoxyphenyl)-4-oxo-4H-chromen-7-yl]oxy}oxan-3-yl]oxy}-3-oxopropanoic acid
Other name (3):
  • 3-(4-Methoxyphenyl)-7-[4-O-(3-hydroxy-1,3-dioxopropyl)-β-D-glucopyranosyloxy]-4H-1-benzopyran-4-one
  • ホルモノネチン7-O-β-D-グルコシド4′′-O-マロナート
  • Formononetin 7-O-β-D-glucoside 4′′-O-malonate
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