Chem
J-GLOBAL ID：200907030326159340   Nikkaji number：J1.974.724G

p-Coumaroyl shikimic acid

p-クマロイルシキミ酸
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： C16H16O7
Molecular formula furigana： C16-H16-O7
Molecular weight： 320.297
InChI： InChI=1S/C16H16O7/c17-11-4-1-9(2-5-11)3-6-14(19)23-13-8-10(16(21)22)7-12(18)15(13)20/h1-6,8,12-13,15,17-18,20H,7H2,(H,21,22)/t12-,13-,15+/m1/s1
InChI key： LKLFKFQUYFROPV-NFAWXSAZSA-N
SMILES： O[C@@H]1CC(=C[C@@H](OC(=O)C=Cc2ccc(O)cc2)[C@H]1O)C(=O)O
Systematic name  (3)：
  • (3R,4S,5R)-3-(4-ヒドロキシスチリルカルボニルオキシ)-4,5-ジヒドロキシ-1-シクロヘキセン-1-カルボン酸
  • (3R,4S,5R)-4,5-ジヒドロキシ-3-{[3-(4-ヒドロキシフェニル)プロパ-2-エノイル]オキシ}シクロヘキサ-1-エン-1-カルボン酸
  • (3R,4S,5R)-4,5-dihydroxy-3-{[3-(4-hydroxyphenyl)prop-2-enoyl]oxy}cyclohex-1-ene-1-carboxylic acid
Other name (3)：
  • (3R,4S,5R)-3-(4-Hydroxystyrylcarbonyloxy)-4,5-dihydroxy-1-cyclohexene-1-carboxylic acid
  • p-クマロイルシキミ酸
  • p-Coumaroyl shikimic acid
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