Chem
J-GLOBAL ID：200907041427810621   Nikkaji number：J440.550A

[3-[[(E)-3-(4-Hydroxy-3-methoxyphenyl)acryloyl]oxy]-2-hydroxypropyl]α-D-glucopyranosiduronic acid

[3-[[(E)-3-(4-ヒドロキシ-3-メトキシフェニル)アクリロイル]オキシ]-2-ヒドロキシプロピル]α-D-グルコピラノシドウロン酸
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： C19H24O12
Molecular formula furigana： C19-H24-O12
Molecular weight： 444.389
InChI： InChI=1S/C19H24O12/c1-28-12-6-9(2-4-11(12)21)3-5-13(22)29-7-10(20)8-30-19-16(25)14(23)15(24)17(31-19)18(26)27/h2-6,10,14-17,19-21,23-25H,7-8H2,1H3,(H,26,27)/b5-3+/t10?,14-,15-,16+,17-,19-/m0/s1
InChI key： OXRPUBQOXZHCQX-UANMYKBTSA-N
SMILES： COc1cc(/C=C/C(=O)OCC(O)CO[C@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(=O)O)ccc1O
Systematic name  (3)：
  • [3-[[(E)-3-(4-ヒドロキシ-3-メトキシフェニル)アクリロイル]オキシ]-2-ヒドロキシプロピル]α-D-グルコピラノシドウロン酸
  • (2S,3S,4S,5R,6S)-3,4,5-トリヒドロキシ-6-(2-ヒドロキシ-3-{[(2E)-3-(4-ヒドロキシ-3-メトキシフェニル)プロパ-2-エノイル]オキシ}プロポキシ)オキサン-2-カルボン酸
  • (2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(2-hydroxy-3-{[(2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy}propoxy)oxane-2-carboxylic acid
Other name (1)：
  • [3-[[(E)-3-(4-Hydroxy-3-methoxyphenyl)acryloyl]oxy]-2-hydroxypropyl]α-D-glucopyranosiduronic acid
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