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CHEBI:172668 - 6-(2-Carboxyethyl)-7-hydroxy-2,2-dimethyl-4-chromanone glucoside

ChEBI IDCHEBI:172668
ChEBI Name6-(2-Carboxyethyl)-7-hydroxy-2,2-dimethyl-4-chromanone glucoside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H26O10
Net Charge0
Average Mass426.418
Monoisotopic Mass426.15260
SMILESCC1(C)CC(=O)c2cc(CCC(=O)O)c(OC3OC(CO)C(O)C(O)C3O)cc2O1
InChIInChI=1S/C20H26O10/c1-20(2)7-11(22)10-5-9(3-4-15(23)24)12(6-13(10)30-20)28-19-18(27)17(26)16(25)14(8-21)29-19/h5-6,14,16-19,21,25-27H,3-4,7-8H2,1-2H3,(H,23,24)
InChIKeyDSNULGSRJZPYOC-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood plasma (BTO:0000131) MetaboLights (MTBLS2633)
ChEBI Ontology
Outgoing Relation(s)
6-(2-Carboxyethyl)-7-hydroxy-2,2-dimethyl-4-chromanone glucoside (CHEBI:172668) is a glycoside (CHEBI:24400)
IUPAC Name 
3-[2,2-dimethyl-4-oxo-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3H-chromen-6-yl]propanoic acid
Manual XrefsDatabases
HMDB0034032HMDB