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CHEBI:168589 - (S)-a-Amino-2,5-dihydro-5-oxo-4-isoxazolepropanoic acid N2-glucoside

ChEBI IDCHEBI:168589
ChEBI Name(S)-a-Amino-2,5-dihydro-5-oxo-4-isoxazolepropanoic acid N2-glucoside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC12H18N2O9
Net Charge0
Average Mass334.281
Monoisotopic Mass334.10123
SMILESNC(Cc1cn(C2OC(CO)C(O)C(O)C2O)oc1=O)C(=O)O
InChIInChI=1S/C12H18N2O9/c13-5(11(19)20)1-4-2-14(23-12(4)21)10-9(18)8(17)7(16)6(3-15)22-10/h2,5-10,15-18H,1,3,13H2,(H,19,20)
InChIKeyOURYTICKCZBKFC-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
ChEBI Ontology
Outgoing Relation(s)
(S)-a-Amino-2,5-dihydro-5-oxo-4-isoxazolepropanoic acid N2-glucoside (CHEBI:168589) is a N-glycosyl compound (CHEBI:21731)
IUPAC Name 
2-amino-3-[5-oxo-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-1,2-oxazol-4-yl]propanoic acid
Manual XrefsDatabases
HMDB0029404HMDB
35032865ChemSpider