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CHEBI:193278 - (3R)-3,4-Dihydroxy-3-(hydroxymethyl)butanenitrile 4-glucoside

ChEBI IDCHEBI:193278
ChEBI Name(3R)-3,4-Dihydroxy-3-(hydroxymethyl)butanenitrile 4-glucoside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC11H19NO8
Net Charge0
Average Mass293.272
Monoisotopic Mass293.11107
SMILESN#CCC(O)(CO)COC1OC(CO)C(O)C(O)C1O
WURCSWURCS=2.0/1,1,0/[axxxxh-1x_1-5_1*OCC^XCC#N/4CO/4O]/1/
InChIInChI=1S/C11H19NO8/c12-2-1-11(18,4-14)5-19-10-9(17)8(16)7(15)6(3-13)20-10/h6-10,13-18H,1,3-5H2
InChIKeyNYBBODHIFBLFMJ-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) feces (BTO:0000440) MetaboLights (MTBLS5335)
ChEBI Ontology
Outgoing Relation(s)
(3R)-3,4-Dihydroxy-3-(hydroxymethyl)butanenitrile 4-glucoside (CHEBI:193278) is a glycosylglycerol (CHEBI:24406)
IUPAC Name 
3-hydroxy-3-(hydroxymethyl)-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutanenitrile
Manual XrefsDatabases
HMDB0034085HMDB