EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:168641 - Isopentyl beta-D-glucoside

ChEBI IDCHEBI:168641
ChEBI NameIsopentyl beta-D-glucoside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC11H22O6
Net Charge0
Average Mass250.291
Monoisotopic Mass250.14164
SMILESCC(C)CCOC1OC(CO)C(O)C(O)C1O
InChIInChI=1S/C11H22O6/c1-6(2)3-4-16-11-10(15)9(14)8(13)7(5-12)17-11/h6-15H,3-5H2,1-2H3
InChIKeyPPOCTRFLRHRTTR-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)
Isopentyl beta-D-glucoside (CHEBI:168641) is a O-acyl carbohydrate (CHEBI:52782)
IUPAC Name 
2-(hydroxymethyl)-6-(3-methylbutoxy)oxane-3,4,5-triol
Manual XrefsDatabases
16469404ChemSpider
HMDB0034750HMDB