Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Methyl chlorogenate
RN: 123483-19-2
UNII: E6GC3KV7JK
InChIKey: MZNIJRAPCCELQX-AWOKGZDASA-N

Note

  • From Eriobotrya japonica.

Molecular Formula

  • C17-H20-O9

Molecular Weight

  • 368.336
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

Name of Substance

  • Methyl chlorogenate

Synonyms

  • Chlorogenic acid, methyl ester
  • Cyclohexanecarboxylic acid, 3-(((2E)-3-(3,4-dihydroxyphenyl)-1-oxo-2-propen-1-yl)oxy)-1,4,5-trihydroxy-, methyl ester, (1S,3R,4R,5R)-
  • Cyclohexanecarboxylic acid, 3-((3-(3,4-dihydroxyphenyl)-1-oxo-2-propen-1-yl)oxy)-1,4,5-trihydroxy-, methyl ester, (1S,3R,4R,5R)-
  • Cyclohexanecarboxylic acid, 3-((3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl)oxy)-1,4,5-trihydroxy-, methyl ester, (1S-(1alpha,3beta,4alpha,5alpha))-
  • Methyl 5-o-caffeoylquinate
  • Methyl chlorogenate
  • UNII-E6GC3KV7JK

Registry Numbers

CAS Registry Number

  • 123483-19-2

FDA UNII

  • E6GC3KV7JK

System Generated Number

  • 0123483192

Structure Descriptors

InChI

1S/C17H20O9/c1-25-16(23)17(24)7-12(20)15(22)13(8-17)26-14(21)5-3-9-2-4-10(18)11(19)6-9/h2-6,12-13,15,18-20,22,24H,7-8H2,1H3/b5-3+/t12-,13-,15-,17+/m1/s1

InChIKey

MZNIJRAPCCELQX-AWOKGZDASA-N

Smiles

COC(=O)[C@]1(O)C[C@@H](O)[C@@H](O)[C@@H](C1)OC(=O)\C=C\c2ccc(O)c(O)c2