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CHEBI:198002 - 1-acetoxy-N-salicyloyl-2-aminopropan-3-ol

ChEBI IDCHEBI:198002
ChEBI Name1-acetoxy-N-salicyloyl-2-aminopropan-3-ol
Stars
Last Modified3 November 2023
SubmitterMetaboLights
DownloadsMolfile
FormulaC12H15NO5
Net Charge0
Average Mass253.254
Monoisotopic Mass253.09502
SMILESCC(=O)OC[C@H](CO)NC(=O)c1ccccc1O
InChIInChI=1S/C12H15NO5/c1-8(15)18-7-9(6-14)13-12(17)10-4-2-3-5-11(10)16/h2-5,9,14,16H,6-7H2,1H3,(H,13,17)/t9-/m0/s1
InChIKeyNGQHCSMZAYNZLC-VIFPVBQESA-N
Species of MetaboliteComponentSourceComments
Streptomyces hygroscopicus (ncbitaxon:1912) - PubMed (15279987)
ChEBI Ontology
Outgoing Relation(s)
1-acetoxy-N-salicyloyl-2-aminopropan-3-ol (CHEBI:198002) is a salicylamides (CHEBI:53443)
IUPAC Name 
[3-hydroxy-2-[(2-hydroxybenzoyl)amino]propyl] acetate
Manual XrefsDatabases
9951709ChemSpider