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Substance Name: N-Caffeoyl-4-aminobutyric acid
RN: 110882-10-5
InChIKey: RYLVNNKAVDBBNU-GQCTYLIASA-N

Note

  • Found in PUT cells & flowering tobacco plants.

Molecular Formula

  • C13-H15-N-O5

Molecular Weight

  • 265.2635
 
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Names and Synonyms

Name of Substance

  • N-Caffeoyl-4-aminobutyric acid

Synonym

  • N-Caffeoyl-GABA

Systematic Name

  • Butanoic acid, 4-((3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl)amino)-

Registry Numbers

CAS Registry Number

  • 110882-10-5

System Generated Number

  • 0110882105

Structure Descriptors

InChI

1S/C13H15NO5/c15-10-5-3-9(8-11(10)16)4-6-12(17)14-7-1-2-13(18)19/h3-6,8,15-16H,1-2,7H2,(H,14,17)(H,18,19)/b6-4+

InChIKey

RYLVNNKAVDBBNU-GQCTYLIASA-N

Smiles

c1cc(c(cc1/C=C/C(=O)NCCCC(=O)O)O)O