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Substance Name: 4-p-Coumaroylquinic acid
RN: 1108200-72-1
UNII: K4772MBI5O
InChIKey: XWRHBGVVCOSNKO-OTCYKTEZSA-N

Molecular Formula

  • C16-H18-O8

Molecular Weight

  • 338.3102
 
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Names and Synonyms

Name of Substance

  • 4-p-Coumaroylquinic acid

Synonyms

  • 4-Coumaroylquinic acid
  • 4-o-Coumaroylquinic acid
  • 4-o-p-Coumaroylquinic acid
  • 4-p-Coumaroylquinic acid
  • 4-p-Cqa
  • Cyclohexanecarboxylic acid, 1,3,5-trihydroxy-4-(((2E)-3-(4-hydroxyphenyl)-1-oxo-2-propen-1-yl)oxy)-, (1alpha,3R,4alpha,5R)-
  • UNII-K4772MBI5O

Registry Numbers

CAS Registry Number

  • 1108200-72-1

FDA UNII

  • K4772MBI5O

System Generated Number

  • 1108200721

Structure Descriptors

InChI

1S/C16H18O8/c17-10-4-1-9(2-5-10)3-6-13(20)24-14-11(18)7-16(23,15(21)22)8-12(14)19/h1-6,11-12,14,17-19,23H,7-8H2,(H,21,22)/b6-3+/t11-,12-,14-,16+/m1/s1

InChIKey

XWRHBGVVCOSNKO-OTCYKTEZSA-N

Smiles

O[C@@H]1C[C@@](O)(C[C@@H](O)[C@H]1OC(=O)\C=C\c2ccc(O)cc2)C(=O)O