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CHEBI:229059 - Asarumin B

ChEBI IDCHEBI:229059
ChEBI NameAsarumin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC13H16O4
Net Charge0
Average Mass236.267
Monoisotopic Mass236.10486
SMILESCOC(=O)[C@H](OC(=O)c1ccccc1)C(C)C
InChIInChI=1S/C13H16O4/c1-9(2)11(13(15)16-3)17-12(14)10-7-5-4-6-8-10/h4-9,11H,1-3H3/t11-/m1/s1
InChIKeyAJCKKMJVWKRHNA-LLVKDONJSA-N
Species of MetaboliteComponentSourceComments
Zea mays (ncbitaxon:4577) exometabolome MetaboLights (MTBLS8903)
ChEBI Ontology
Outgoing Relation(s)
Asarumin B (CHEBI:229059) is a benzoate ester (CHEBI:36054)
IUPAC Name 
[(2R)-1-methoxy-3-methyl-1-oxobutan-2-yl] benzoate
Manual XrefsDatabases
115754ChemSpider