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Substance Name: 4-Caffeoylshikimic acid
RN: 180842-65-3
UNII: 80J8ZT4K3I
InChIKey: VTURJKQJEXSKNY-GDDAOPKQSA-N

Molecular Formula

  • C16-H16-O8

Molecular Weight

  • 336.2944
 
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Names and Synonyms

Name of Substance

  • 4-Caffeoylshikimic acid

Synonyms

  • 1-Cyclohexene-1-carboxylic acid, 4-(((2E)-3-(3,4-dihydroxyphenyl)-1-oxo-2-propen-1-yl)oxy)-3,5-dihydroxy-, (3R,4S,5R)-
  • 1-Cyclohexene-1-carboxylic acid, 4-(((2E)-3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl)oxy)-3,5-dihydroxy-, (3R,4S,5R)-
  • 1-Cyclohexene-1-carboxylic acid, 4-((3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl)oxy)-3,5-dihydroxy-, (3R-(3alpha,4alpha(E),5beta))-
  • 4-Caffeoylshikimic acid
  • 4-Csa
  • 4-o-Caffeoylshikimic acid
  • trans-4-o-Caffeoylshikimic acid
  • UNII-80J8ZT4K3I

Registry Numbers

CAS Registry Number

  • 180842-65-3

FDA UNII

  • 80J8ZT4K3I

System Generated Number

  • 0180842653

Structure Descriptors

InChI

1S/C16H16O8/c17-10-3-1-8(5-11(10)18)2-4-14(21)24-15-12(19)6-9(16(22)23)7-13(15)20/h1-6,12-13,15,17-20H,7H2,(H,22,23)/b4-2+/t12-,13-,15-/m1/s1

InChIKey

VTURJKQJEXSKNY-GDDAOPKQSA-N

Smiles

O[C@@H]1CC(=C[C@@H](O)[C@H]1OC(=O)\C=C\c2ccc(O)c(O)c2)C(=O)O