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CHEBI:168728 - 6-(4-ethyl-2,6-dihydroxyphenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid

ChEBI IDCHEBI:168728
ChEBI Name6-(4-ethyl-2,6-dihydroxyphenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC14H18O9
Net Charge0
Average Mass330.289
Monoisotopic Mass330.09508
SMILESCCc1cc(O)c(OC2OC(C(=O)O)C(O)C(O)C2O)c(O)c1
InChIInChI=1S/C14H18O9/c1-2-5-3-6(15)11(7(16)4-5)22-14-10(19)8(17)9(18)12(23-14)13(20)21/h3-4,8-10,12,14-19H,2H2,1H3,(H,20,21)
InChIKeyYDJXMUBJGACGAE-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-(4-ethyl-2,6-dihydroxyphenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid (CHEBI:168728) is a glycoside (CHEBI:24400)
IUPAC Name 
6-(4-ethyl-2,6-dihydroxyphenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid
Manual XrefsDatabases
HMDB0128029HMDB