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Substance Name: 1-Caffeoylquinic acid
RN: 1241-87-8
InChIKey: GWTUHAXUUFROTF-DUXPYHPUSA-N

Molecular Formula

  • C16-H18-O9

Molecular Weight

  • 354.3092
 
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Names and Synonyms

Results Name

  • 1-Caffeoylquinic acid

Synonym

  • 1-Caffeoylquinic acid

Systematic Name

  • Cinnamic acid, 3,4-dihydroxy-, (-)-1-carboxy-3,4,5-trihydroxycyclohexyl ester

Registry Numbers

CAS Registry Number

  • 1241-87-8

System Generated Number

  • 0001241878

Structure Descriptors

InChI

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

InChIKey

GWTUHAXUUFROTF-DUXPYHPUSA-N

Smiles

c1cc(c(cc1/C=C/C(=O)OC2(CC(C(C(C2)O)O)O)C(=O)O)O)O