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CHEBI:168903 - 7-Hydroxy-5-(4-hydroxy-2-oxopentyl)-2-methylchromone 7-glucoside

ChEBI IDCHEBI:168903
ChEBI Name7-Hydroxy-5-(4-hydroxy-2-oxopentyl)-2-methylchromone 7-glucoside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H26O10
Net Charge0
Average Mass438.429
Monoisotopic Mass438.15260
SMILESCc1cc(=O)c2c(CC(=O)CC(C)O)cc(OC3OC(CO)C(O)C(O)C3O)cc2o1
InChIInChI=1S/C21H26O10/c1-9(23)3-12(24)5-11-6-13(7-15-17(11)14(25)4-10(2)29-15)30-21-20(28)19(27)18(26)16(8-22)31-21/h4,6-7,9,16,18-23,26-28H,3,5,8H2,1-2H3
InChIKeyUCHJBTMJIHWPDI-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)
7-Hydroxy-5-(4-hydroxy-2-oxopentyl)-2-methylchromone 7-glucoside (CHEBI:168903) is a glycoside (CHEBI:24400)
IUPAC Name 
5-(4-hydroxy-2-oxopentyl)-2-methyl-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
Manual XrefsDatabases
HMDB0034698HMDB