Chem
J-GLOBAL ID：200907072031177902   Nikkaji number：J956.411J

Fertaric acid

フェルタル酸
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： C14H14O9
Molecular formula furigana： C14-H14-O9
Molecular weight： 326.257
InChI： InChI=1S/C14H14O9/c1-22-9-6-7(2-4-8(9)15)3-5-10(16)23-12(14(20)21)11(17)13(18)19/h2-6,11-12,15,17H,1H3,(H,18,19)(H,20,21)
InChI key： XIWXUSFCUBAMFH-UHFFFAOYSA-N
SMILES： COc1cc(C=CC(=O)OC(C(O)C(=O)O)C(=O)O)ccc1O
Systematic name  (3)：
  • 2-[3-(3-メトキシ-4-ヒドロキシフェニル)アクリロイルオキシ]-3-ヒドロキシブタン二酸
  • 2-ヒドロキシ-3-{[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}ブタン二酸
  • 2-hydroxy-3-{[3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy}butanedioic acid
Other name (3)：
  • 2-[3-(3-Methoxy-4-hydroxyphenyl)acryloyloxy]-3-hydroxybutanedioic acid
  • フェルタル酸
  • Fertaric acid
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