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CHEBI:169321 - 6-({2-[(acetyloxy)methyl]-4,5,6-trihydroxyoxan-3-yl}oxy)-3,4,5-trihydroxyoxane-2-carboxylic acid

ChEBI IDCHEBI:169321
ChEBI Name6-({2-[(acetyloxy)methyl]-4,5,6-trihydroxyoxan-3-yl}oxy)-3,4,5-trihydroxyoxane-2-carboxylic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC14H22O13
Net Charge0
Average Mass398.317
Monoisotopic Mass398.10604
SMILESCC(=O)OCC1OC(O)C(O)C(O)C1OC1OC(C(=O)O)C(O)C(O)C1O
InChIInChI=1S/C14H22O13/c1-3(15)24-2-4-10(7(18)8(19)13(23)25-4)26-14-9(20)5(16)6(17)11(27-14)12(21)22/h4-11,13-14,16-20,23H,2H2,1H3,(H,21,22)
InChIKeyUALAGYISISEISX-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-[(acetyloxy)methyl]-4,5,6-trihydroxyoxan-3-yl}oxy)-3,4,5-trihydroxyoxane-2-carboxylic acid (CHEBI:169321) is a glucosiduronic acid (CHEBI:24302)
IUPAC Name 
6-[2-(acetyloxymethyl)-4,5,6-trihydroxyoxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
Manual XrefsDatabases
HMDB0125228HMDB