EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:167986 - 1-O-(8R-hydroxy-8-methyl-3Z,9-decadienoyl)-beta-D-glucopyranose

ChEBI IDCHEBI:167986
ChEBI Name1-O-(8R-hydroxy-8-methyl-3Z,9-decadienoyl)-beta-D-glucopyranose
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC17H28O8
Net Charge0
Average Mass360.403
Monoisotopic Mass360.17842
SMILESC=C[C@](C)(O)CCC/C=C\CC(=O)O[C@@H]1OC(CO)[C@@H](O)C(O)C1O
InChIInChI=1S/C17H28O8/c1-3-17(2,23)9-7-5-4-6-8-12(19)25-16-15(22)14(21)13(20)11(10-18)24-16/h3-4,6,11,13-16,18,20-23H,1,5,7-10H2,2H3/b6-4-/t11?,13-,14?,15?,16+,17+/m1/s1
InChIKeyVSVRDZASVIUYEH-JSJDWEMMSA-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)
1-O-(8R-hydroxy-8-methyl-3Z,9-decadienoyl)-beta-D-glucopyranose (CHEBI:167986) is a O-acyl carbohydrate (CHEBI:52782)
IUPAC Name 
[(2S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (3Z,8R)-8-hydroxy-8-methyldeca-3,9-dienoate
Manual XrefsDatabases
LMFA13010039LIPID MAPS