Chem
J-GLOBAL ID：200907081572343260   Nikkaji number：J524.610E

Phenethyl caffeate

カフェー酸フェネチル
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： C17H16O4
Molecular formula furigana： C17-H16-O4
Molecular weight： 284.311
InChI： InChI=1S/C17H16O4/c18-15-8-6-14(12-16(15)19)7-9-17(20)21-11-10-13-4-2-1-3-5-13/h1-9,12,18-19H,10-11H2
InChI key： SWUARLUWKZWEBQ-UHFFFAOYSA-N
SMILES： Oc1ccc(C=CC(=O)OCCc2ccccc2)cc1O
Systematic name  (7)：
  • 3-(3,4-ジヒドロキシフェニル)アクリル酸フェネチル
  • 3-(3,4-ジヒドロキシフェニル)プロペン酸フェネチル
  • 3-(3,4-ジヒドロキシフェニル)プロペン酸2-フェニルエチル
  • 3-(3,4-ジヒドロキシフェニル)アクリル酸2-フェニルエチル
  • 3,4-ジヒドロキシベンゼンアクリル酸フェネチル
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Other name (13)：
  • カフェー酸フェネチル
  • Caffeic acid phenethyl ester
  • カフェ酸フェネチル
  • 3-(3,4-Dihydroxyphenyl)propenoic acid 2-phenylethyl ester
  • 3-(3,4-Dihydroxyphenyl)propenoic acid phenethyl ester
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CAS registry number： 104594-70-9
KEGG COMPOUND： C10484
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