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Substance Name: 3-O-Feruloylquinic acid
RN: 1899-29-2
InChIKey: RAGZUCNPTLULOL-ZLCRQKIYSA-N

Molecular Formula

  • C17-H20-O9

Molecular Weight

  • 368.336
 
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Names and Synonyms

Results Name

  • 3-O-Feruloylquinic acid

Synonyms

  • (1alpha,3alpha,4alpha,5beta)-1,3,4-Trihydroxy-5-((3-(4-hydroxy-3-methoxyphenyl)-1-oxo-2-propenyl)oxy)cyclohexanecarboxylic acid
  • 3-O-Feruloylquinic acid

Systematic Name

  • Cyclohexanecarboxylic acid, 1,3,4-trihydroxy-5-((3-(4-hydroxy-3-methoxyphenyl)-1-oxo-2-propenyl)oxy)-, (1alpha,3alpha,4alpha,5beta)-

Registry Numbers

CAS Registry Number

  • 1899-29-2

System Generated Number

  • 0001899292

Structure Descriptors

InChI

1S/C17H20O9/c1-25-12-6-9(2-4-10(12)18)3-5-14(20)26-13-8-17(24,16(22)23)7-11(19)15(13)21/h2-6,11,13,15,18-19,21,24H,7-8H2,1H3,(H,22,23)/b5-3+/t11-,13-,15-,17-/m0/s1

InChIKey

RAGZUCNPTLULOL-ZLCRQKIYSA-N

Smiles

COc1cc(ccc1O)/C=C/C(=O)O[C@H]2C[C@@](C[C@@H]([C@@H]2O)O)(C(=O)O)O