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CHEBI:168471 - 6-(5-ethyl-2-hydroxy-3-methoxyphenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid

ChEBI IDCHEBI:168471
ChEBI Name6-(5-ethyl-2-hydroxy-3-methoxyphenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H20O9
Net Charge0
Average Mass344.316
Monoisotopic Mass344.11073
SMILESCCc1cc(OC)c(O)c(OC2OC(C(=O)O)C(O)C(O)C2O)c1
InChIInChI=1S/C15H20O9/c1-3-6-4-7(22-2)9(16)8(5-6)23-15-12(19)10(17)11(18)13(24-15)14(20)21/h4-5,10-13,15-19H,3H2,1-2H3,(H,20,21)
InChIKeyZXJJNQBRYWHKQP-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-(5-ethyl-2-hydroxy-3-methoxyphenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid (CHEBI:168471) is a glycoside (CHEBI:24400)
IUPAC Name 
6-(5-ethyl-2-hydroxy-3-methoxyphenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid
Manual XrefsDatabases
HMDB0128017HMDB