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CHEBI:168157 - (E)-2-Methyl-2-buten-1-ol O-beta-D-Glucopyranoside

ChEBI IDCHEBI:168157
ChEBI Name(E)-2-Methyl-2-buten-1-ol O-beta-D-Glucopyranoside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC11H20O6
Net Charge0
Average Mass248.275
Monoisotopic Mass248.12599
SMILESC/C=C(\C)CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C11H20O6/c1-3-6(2)5-16-11-10(15)9(14)8(13)7(4-12)17-11/h3,7-15H,4-5H2,1-2H3/b6-3+/t7-,8-,9+,10-,11-/m1/s1
InChIKeyRQSHFEQQQBCYNX-NUHCODKBSA-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)
(E)-2-Methyl-2-buten-1-ol O-beta-D-Glucopyranoside (CHEBI:168157) is a O-acyl carbohydrate (CHEBI:52782)
IUPAC Name 
(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[(E)-2-methylbut-2-enoxy]oxane-3,4,5-triol
Manual XrefsDatabases
8928377ChemSpider