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CHEBI:168852 - 1-(3-Hydroxy-4-Methoxyphenyl)-1,2-ethanediol 3'-O-b-D-glucoside

ChEBI IDCHEBI:168852
ChEBI Name1-(3-Hydroxy-4-Methoxyphenyl)-1,2-ethanediol 3'-O-b-D-glucoside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H22O9
Net Charge0
Average Mass346.332
Monoisotopic Mass346.12638
SMILESCOc1ccc(C(O)CO)cc1OC1OC(CO)C(O)C(O)C1O
InChIInChI=1S/C15H22O9/c1-22-9-3-2-7(8(18)5-16)4-10(9)23-15-14(21)13(20)12(19)11(6-17)24-15/h2-4,8,11-21H,5-6H2,1H3
InChIKeyCEAVUNYMFVXZKB-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-Hydroxy-4-Methoxyphenyl)-1,2-ethanediol 3'-O-b-D-glucoside (CHEBI:168852) is a glycoside (CHEBI:24400)
IUPAC Name 
2-[5-(1,2-dihydroxyethyl)-2-methoxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
Manual XrefsDatabases
HMDB0035057HMDB