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CHEBI:188430 - 3,4,5-trihydroxy-6-(2-methyl-3-phenylpropoxy)oxane-2-carboxylic acid

ChEBI IDCHEBI:188430
ChEBI Name3,4,5-trihydroxy-6-(2-methyl-3-phenylpropoxy)oxane-2-carboxylic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H22O7
Net Charge0
Average Mass326.345
Monoisotopic Mass326.13655
SMILESCC(COC1OC(C(=O)O)C(O)C(O)C1O)Cc1ccccc1
InChIInChI=1S/C16H22O7/c1-9(7-10-5-3-2-4-6-10)8-22-16-13(19)11(17)12(18)14(23-16)15(20)21/h2-6,9,11-14,16-19H,7-8H2,1H3,(H,20,21)
InChIKeyWYWXPUAUOJCZCT-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) blood serum (BTO:0000133) MetaboLights (MTBLS3886)
ChEBI Ontology
Outgoing Relation(s)
3,4,5-trihydroxy-6-(2-methyl-3-phenylpropoxy)oxane-2-carboxylic acid (CHEBI:188430) is a O-acyl carbohydrate (CHEBI:52782)
IUPAC Name 
3,4,5-trihydroxy-6-(2-methyl-3-phenylpropoxy)oxane-2-carboxylic acid
Manual XrefsDatabases
HMDB0133673HMDB