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CHEBI:168961 - 4-O-alpha-D-Galactopyranosylcalystegine B2

ChEBI IDCHEBI:168961
ChEBI Name4-O-alpha-D-Galactopyranosylcalystegine B2
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC13H23NO9
Net Charge0
Average Mass337.325
Monoisotopic Mass337.13728
SMILESOCC1OC(OC2C3CCC(O)(N3)C(O)C2O)C(O)C(O)C1O
InChIInChI=1S/C13H23NO9/c15-3-5-6(16)7(17)8(18)12(22-5)23-10-4-1-2-13(21,14-4)11(20)9(10)19/h4-12,14-21H,1-3H2
InChIKeyIWKGAFMTKIYREN-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)
4-O-alpha-D-Galactopyranosylcalystegine B2 (CHEBI:168961) is a glycoside (CHEBI:24400)
IUPAC Name 
4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-8-azabicyclo[3.2.1]octane-1,2,3-triol
Manual XrefsDatabases
HMDB0038228HMDB