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Substance Name: P-Coumaroylquinic acid
RN: 1899-30-5
InChIKey: BMRSEYFENKXDIS-OTCYKTEZSA-N

Molecular Formula

  • C16-H18-O8

Molecular Weight

  • 338.31
 
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Names and Synonyms

Results Name

  • P-Coumaroylquinic acid

Synonym

  • P-Coumaroylquinic acid

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 1899-30-5

System Generated Number

  • 0001899305

Structure Descriptors

InChI

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

InChIKey

BMRSEYFENKXDIS-OTCYKTEZSA-N

Smiles

C1[C@](C[C@H]([C@@H]([C@@H]1O)O)OC(\C=C\c1ccc(cc1)O)=O)(C(=O)O)O