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Substance Name: Neochlorogenic acid, (Z)-
RN: 32719-11-2
UNII: 6RO47OBY4X
InChIKey: CWVRJTMFETXNAD-DJTMHQFBSA-N

Molecular Formula

  • C16-H18-O9

Molecular Weight

  • 354.3092
 
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Names and Synonyms

Name of Substance

  • Neochlorogenic acid, (Z)-

Synonyms

  • (Z)-Neochlorogenic acid
  • cis-3-Caffeoylquinic acid
  • cis-3-Cqa
  • Cyclohexanecarboxylic acid, 3-(((2Z)-3-(3,4-dihydroxyphenyl)-1-oxo-2-propen-1-yl)oxy)-1,4,5-trihydroxy-, (1R,3R,4S,5R)-
  • Cyclohexanecarboxylic acid, 3-(((2Z)-3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl)oxy)-1,4,5-trihydroxy-, (1R,3R,4S,5R)-
  • Cyclohexanecarboxylic acid, 3-((3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl)oxy)-1,4,5-trihydroxy-, (1R-(1alpha,3alpha(Z),4alpha,5beta))-
  • Neochlorogenic acid, (Z)-
  • UNII-6RO47OBY4X

Registry Numbers

CAS Registry Number

  • 32719-11-2

FDA UNII

  • 6RO47OBY4X

System Generated Number

  • 0032719112

Structure Descriptors

InChI

1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2-/t11-,12-,14+,16-/m1/s1

InChIKey

CWVRJTMFETXNAD-DJTMHQFBSA-N

Smiles

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