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Substance Name: 5-O-Caffeoylshikimic acid
RN: 73263-62-4
UNII: 5U399BD0RZ
InChIKey: QMPHZIPNNJOWQI-GDDAOPKQSA-N

Note

  • From bracken fern, Pteridium aquilinum.

Molecular Weight

  • 336.294
 
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Names and Synonyms

Name of Substance

  • 5-O-Caffeoylshikimic acid

Synonym

  • UNII-5U399BD0RZ

Systematic Name

  • 1-Cyclohexene-1-carboxylic acid, 5-((3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl)oxy)-3,4-dihydroxy-, (3R-(3alpha,4alpha,5beta))-

Registry Numbers

CAS Registry Number

  • 73263-62-4

FDA UNII

  • 5U399BD0RZ

System Generated Number

  • 0073263624

Structure Descriptors

InChI

1S/C16H16O8/c17-10-3-1-8(5-11(10)18)2-4-14(20)24-13-7-9(16(22)23)6-12(19)15(13)21/h1-6,12-13,15,17-19,21H,7H2,(H,22,23)/b4-2+/t12-,13-,15-/m1/s1

InChIKey

QMPHZIPNNJOWQI-GDDAOPKQSA-N

Smiles

C1(=C[C@H]([C@H]([C@@H](C1)OC(\C=C\c1cc(c(cc1)O)O)=O)O)O)C(=O)O