EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:168226 - 6-{[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]methyl}oxane-2,3,4,5-tetrol

ChEBI IDCHEBI:168226
ChEBI Name6-{[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]methyl}oxane-2,3,4,5-tetrol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC12H22O10
Net Charge0
Average Mass326.298
Monoisotopic Mass326.12130
SMILESCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1O
InChIInChI=1S/C12H22O10/c1-3-5(13)7(15)10(18)12(21-3)20-2-4-6(14)8(16)9(17)11(19)22-4/h3-19H,2H2,1H3
InChIKeyOVVGHDNPYGTYIT-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)
6-{[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]methyl}oxane-2,3,4,5-tetrol (CHEBI:168226) is a glycoside (CHEBI:24400)
IUPAC Name 
6-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]oxane-2,3,4,5-tetrol
Manual XrefsDatabases
HMDB0124733HMDB
3677084ChemSpider