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CHEBI:168036 - 6-(4-ethyl-2-hydroxyphenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid

Default Structure
ChEBI IDCHEBI:168036
ChEBI Name6-(4-ethyl-2-hydroxyphenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC14H18O8
Net Charge0
Average Mass314.290
Monoisotopic Mass314.10017
SMILESCCc1ccc(OC2OC(C(=O)O)C(O)C(O)C2O)c(O)c1
InChIInChI=1S/C14H18O8/c1-2-6-3-4-8(7(15)5-6)21-14-11(18)9(16)10(17)12(22-14)13(19)20/h3-5,9-12,14-18H,2H2,1H3,(H,19,20)
InChIKeyPAYASZJSUFKEFP-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-hydroxyphenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid (CHEBI:168036) is a glycoside (CHEBI:24400)
IUPAC Name 
6-(4-ethyl-2-hydroxyphenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid
Manual XrefsDatabases
HMDB0124984HMDB