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CHEBI:168392 - 1-(3,4-Dimethoxyphenyl)-1,2-ethanediol 2-O-b-D-glucoside

ChEBI IDCHEBI:168392
ChEBI Name1-(3,4-Dimethoxyphenyl)-1,2-ethanediol 2-O-b-D-glucoside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H24O9
Net Charge0
Average Mass360.359
Monoisotopic Mass360.14203
SMILESCOc1ccc(C(O)COC2OC(CO)C(O)C(O)C2O)cc1OC
InChIInChI=1S/C16H24O9/c1-22-10-4-3-8(5-11(10)23-2)9(18)7-24-16-15(21)14(20)13(19)12(6-17)25-16/h3-5,9,12-21H,6-7H2,1-2H3
InChIKeyPWFYKSAKCMTDRH-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)
1-(3,4-Dimethoxyphenyl)-1,2-ethanediol 2-O-b-D-glucoside (CHEBI:168392) is a glycoside (CHEBI:24400)
IUPAC Name 
2-[2-(3,4-dimethoxyphenyl)-2-hydroxyethoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
Manual XrefsDatabases
HMDB0034627HMDB