Chem
J-GLOBAL ID：200907008449294930   Nikkaji number：J431.736J

Chicoric acid

キコル酸
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： C22H18O12
Molecular formula furigana： C22-H18-O12
Molecular weight： 474.374
InChI： InChI=1S/C22H18O12/c23-13-5-1-11(9-15(13)25)3-7-17(27)33-19(21(29)30)20(22(31)32)34-18(28)8-4-12-2-6-14(24)16(26)10-12/h1-10,19-20,23-26H,(H,29,30)(H,31,32)/t19-,20-/m1/s1
InChI key： YDDGKXBLOXEEMN-WOJBJXKFSA-N
SMILES： OC(=O)[C@H](OC(=O)C=Cc1ccc(O)c(O)c1)[C@@H](OC(=O)C=Cc1ccc(O)c(O)c1)C(=O)O
Systematic name  (5)：
  • (2R,3R)-2,3-ビス[[3-(3,4-ジヒドロキシフェニル)-1-オキソ-2-プロペニル]オキシ]ブタン二酸
  • [2R,3R,(-)]-2,3-ビス[[3-(3,4-ジヒドロキシフェニル)-1-オキソ-2-プロペニル]オキシ]ブタン二酸
  • (2R,3R)-2-O,3-O-ビス[3-(3,4-ジヒドロキシフェニル)アクリロイル]酒石酸
  • (2R,3R)-2,3-ビス({[3-(3,4-ジヒドロキシフェニル)プロパ-2-エノイル]オキシ})ブタン二酸
  • (2R,3R)-2,3-bis({[3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy})butanedioic acid
Other name (9)：
  • キコル酸
  • Chicoric acid
  • チコリ酸
  • [2R,3R,(-)]-2,3-Bis[[3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]oxy]butanedioic acid
  • (2R,3R)-2,3-Bis[[3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]oxy]butanedioic acid
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CAS registry number： 6537-80-0
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