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CHEBI:168355 - 6-(4-ethyl-2-methoxyphenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid

ChEBI IDCHEBI:168355
ChEBI Name6-(4-ethyl-2-methoxyphenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H20O8
Net Charge0
Average Mass328.317
Monoisotopic Mass328.11582
SMILESCCc1ccc(OC2OC(C(=O)O)C(O)C(O)C2O)c(OC)c1
InChIInChI=1S/C15H20O8/c1-3-7-4-5-8(9(6-7)21-2)22-15-12(18)10(16)11(17)13(23-15)14(19)20/h4-6,10-13,15-18H,3H2,1-2H3,(H,19,20)
InChIKeyJQYHXAPKBUDBOM-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-methoxyphenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid (CHEBI:168355) is a glycoside (CHEBI:24400)
IUPAC Name 
6-(4-ethyl-2-methoxyphenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid
Manual XrefsDatabases
HMDB0127987HMDB