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CHEBI:169279 - 6-(2-benzyl-3-oxobutoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid

ChEBI IDCHEBI:169279
ChEBI Name6-(2-benzyl-3-oxobutoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC17H22O8
Net Charge0
Average Mass354.355
Monoisotopic Mass354.13147
SMILESCC(=O)C(COC1OC(C(=O)O)C(O)C(O)C1O)Cc1ccccc1
InChIInChI=1S/C17H22O8/c1-9(18)11(7-10-5-3-2-4-6-10)8-24-17-14(21)12(19)13(20)15(25-17)16(22)23/h2-6,11-15,17,19-21H,7-8H2,1H3,(H,22,23)
InChIKeyGRCAFHGZBFPKMX-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-(2-benzyl-3-oxobutoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid (CHEBI:169279) is a O-acyl carbohydrate (CHEBI:52782)
IUPAC Name 
6-(2-benzyl-3-oxobutoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid
Manual XrefsDatabases
HMDB0133705HMDB