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CHEBI:168716 - 6-(2-benzyl-3-oxopropoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid

ChEBI IDCHEBI:168716
ChEBI Name6-(2-benzyl-3-oxopropoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H20O8
Net Charge0
Average Mass340.328
Monoisotopic Mass340.11582
SMILESO=CC(COC1OC(C(=O)O)C(O)C(O)C1O)Cc1ccccc1
InChIInChI=1S/C16H20O8/c17-7-10(6-9-4-2-1-3-5-9)8-23-16-13(20)11(18)12(19)14(24-16)15(21)22/h1-5,7,10-14,16,18-20H,6,8H2,(H,21,22)
InChIKeyGSFWDAXCUBJKMY-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-oxopropoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid (CHEBI:168716) is a O-acyl carbohydrate (CHEBI:52782)
IUPAC Name 
6-(2-benzyl-3-oxopropoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid
Manual XrefsDatabases
HMDB0133636HMDB