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CHEBI:185028 - 1-O-(4-hydroxy-2-methylene-butanoyl)-beta-D-glucopyranose

ChEBI IDCHEBI:185028
ChEBI Name1-O-(4-hydroxy-2-methylene-butanoyl)-beta-D-glucopyranose
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC11H18O8
Net Charge0
Average Mass278.257
Monoisotopic Mass278.10017
SMILESC=C(CCO)C(=O)O[C@@H]1OC(CO)[C@@H](O)C(O)C1O
WURCSWURCS=2.0/1,1,0/[axx2xh-1u_1-5_1*OCCCCO/4=C/3=O]/1/
InChIInChI=1S/C11H18O8/c1-5(2-3-12)10(17)19-11-9(16)8(15)7(14)6(4-13)18-11/h6-9,11-16H,1-4H2/t6?,7-,8?,9?,11+/m1/s1
InChIKeySQRUWMQAWMLKPR-RUHQBUNJSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
1-O-(4-hydroxy-2-methylene-butanoyl)-beta-D-glucopyranose (CHEBI:185028) is a hexose (CHEBI:18133)
IUPAC Name 
[(2S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] 4-hydroxy-2-methylidenebutanoate
Manual XrefsDatabases
LMFA13010041LIPID MAPS
C08561KEGG COMPOUND