Chem
J-GLOBAL ID：200907094842439510   Nikkaji number：J2.380.119A

4-Coumaroylshikimate

4-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/h1-7,12-13,15,17-18,20H,8H2,(H,21,22)/b6-3+/t12-,13-,15-/m1/s1
InChI key： GVECSFFLZYNEBO-PDXJTRCTSA-N
SMILES： O[C@@H]1C=C(C[C@@H](OC(=O)/C=C/c2ccc(O)cc2)[C@@H]1O)C(=O)O
Systematic name  (4)：
  • (3R)-3β,4β-ジヒドロキシ-5α-(p-ヒドロキシシンナモイルオキシ)-1-シクロヘキセン-1-カルボン酸
  • 5α-[(E)-3-(4-ヒドロキシフェニル)プロペノイルオキシ]-3β,4β-ジヒドロキシシクロヘキセン-1-カルボン酸
  • (3R,4R,5R)-3,4-ジヒドロキシ-5-{[(2E)-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,4R,5R)-3,4-dihydroxy-5-{[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy}cyclohex-1-ene-1-carboxylic acid
Other name (8)：
  • (3R)-3β,4β-Dihydroxy-5α-(p-hydroxycinnamoyloxy)-1-cyclohexene-1-carboxylic acid
  • p-クマロイル5-O-シキマート
  • p-Coumaroyl 5-O-shikimate
  • 5α-[(E)-3-(4-Hydroxyphenyl)propenoyloxy]-3β,4β-dihydroxycyclohexene-1-carboxylic acid
  • 4-Coumaroylshikimate
Show all
KEGG COMPOUND： C02947
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