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CHEBI:169329 - 6-{[3-(1,2-dihydroxybutyl)-1-oxo-1H-isochromen-7-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid

ChEBI IDCHEBI:169329
ChEBI Name6-{[3-(1,2-dihydroxybutyl)-1-oxo-1H-isochromen-7-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC19H22O11
Net Charge0
Average Mass426.374
Monoisotopic Mass426.11621
SMILESCCC(O)C(O)c1cc2ccc(OC3OC(C(=O)O)C(O)C(O)C3O)cc2c(=O)o1
InChIInChI=1S/C19H22O11/c1-2-10(20)12(21)11-5-7-3-4-8(6-9(7)18(27)29-11)28-19-15(24)13(22)14(23)16(30-19)17(25)26/h3-6,10,12-16,19-24H,2H2,1H3,(H,25,26)
InChIKeyUGISJEOKAANYGW-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-{[3-(1,2-dihydroxybutyl)-1-oxo-1H-isochromen-7-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid (CHEBI:169329) is a glycoside (CHEBI:24400)
IUPAC Name 
6-[3-(1,2-dihydroxybutyl)-1-oxoisochromen-7-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
Manual XrefsDatabases
HMDB0130070HMDB