EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:169140 - 2'-Methoxy-3-(2,4-dihydroxyphenyl)-1,2-propanediol 4'-glucoside

Default Structure
ChEBI IDCHEBI:169140
ChEBI Name2'-Methoxy-3-(2,4-dihydroxyphenyl)-1,2-propanediol 4'-glucoside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H24O9
Net Charge0
Average Mass360.359
Monoisotopic Mass360.14203
SMILESCOc1cc(OC2OC(CO)C(O)C(O)C2O)ccc1CC(O)CO
InChIInChI=1S/C16H24O9/c1-23-11-5-10(3-2-8(11)4-9(19)6-17)24-16-15(22)14(21)13(20)12(7-18)25-16/h2-3,5,9,12-22H,4,6-7H2,1H3
InChIKeyVXXKDWBEVHGANN-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)
2'-Methoxy-3-(2,4-dihydroxyphenyl)-1,2-propanediol 4'-glucoside (CHEBI:169140) is a glycoside (CHEBI:24400)
IUPAC Name 
2-[4-(2,3-dihydroxypropyl)-3-methoxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
Manual XrefsDatabases
HMDB0039473HMDB