EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:168463 - (R)-1-O-b-D-glucopyranosyl-1,3-octanediol

Default Structure
ChEBI IDCHEBI:168463
ChEBI Name(R)-1-O-b-D-glucopyranosyl-1,3-octanediol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC14H28O7
Net Charge0
Average Mass308.371
Monoisotopic Mass308.18350
SMILESCCCCCC(O)CCOC1OC(CO)C(O)C(O)C1O
InChIInChI=1S/C14H28O7/c1-2-3-4-5-9(16)6-7-20-14-13(19)12(18)11(17)10(8-15)21-14/h9-19H,2-8H2,1H3
InChIKeyPDTNYXYWXDHHEM-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)
(R)-1-O-b-D-glucopyranosyl-1,3-octanediol (CHEBI:168463) is a O-acyl carbohydrate (CHEBI:52782)
IUPAC Name 
2-(hydroxymethyl)-6-(3-hydroxyoctoxy)oxane-3,4,5-triol
Manual XrefsDatabases
HMDB0029362HMDB