CHEBI:181959 - (3S,4R)-3-Benzoyloxy-8-methyl-8-azabicyclo[3.2.1]octane-4-carboxylic acid

ChEBI IDCHEBI:181959
ChEBI Name(3S,4R)-3-Benzoyloxy-8-methyl-8-azabicyclo[3.2.1]octane-4-carboxylic acid
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SubmitterMetaboLights
DownloadsMolfile
FormulaC16H19NO4
Net Charge0
Average Mass289.331
Monoisotopic Mass289.13141
SMILESCN1C2CCC1[C@@H](C(=O)O)[C@@H](OC(=O)c1ccccc1)C2
InChIInChI=1S/C16H19NO4/c1-17-11-7-8-12(17)14(15(18)19)13(9-11)21-16(20)10-5-3-2-4-6-10/h2-6,11-14H,7-9H2,1H3,(H,18,19)/t11?,12?,13-,14+/m0/s1
InChIKeyGVGYEFKIHJTNQZ-CLRIEMFWSA-N
ChEBI Ontology
Outgoing Relation(s)
(3S,4R)-3-Benzoyloxy-8-methyl-8-azabicyclo[3.2.1]octane-4-carboxylic acid (CHEBI:181959) is a benzoate ester (CHEBI:36054)
IUPAC Name 
(2R,3S)-3-benzoyloxy-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylic acid
Manual XrefsDatabases
391300ChemSpider
C10847KEGG COMPOUND