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CHEBI:167531 - aromadendrin 7-O-glucoside

ChEBI IDCHEBI:167531
ChEBI Namearomadendrin 7-O-glucoside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H22O11
Net Charge0
Average Mass450.396
Monoisotopic Mass450.11621
SMILESO=C1c2c(O)cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc2O[C@H](c2ccc(O)cc2)[C@H]1O
InChIInChI=1S/C21H22O11/c22-7-13-15(25)17(27)19(29)21(32-13)30-10-5-11(24)14-12(6-10)31-20(18(28)16(14)26)8-1-3-9(23)4-2-8/h1-6,13,15,17-25,27-29H,7H2/t13-,15-,17+,18+,19-,20-,21-/m1/s1
InChIKeyUDIXYHJHYVDNOG-JUIPTLLLSA-N
Species of MetaboliteComponentSourceComments
Gomphrena (ncbitaxon:169521) leaf (BTO:0000713) MetaboLights (MTBLS613) Strain: Gomphrena agrestis Mart.
ChEBI Ontology
Outgoing Relation(s)
aromadendrin 7-O-glucoside (CHEBI:167531) is a flavonoids (CHEBI:72544)
aromadendrin 7-O-glucoside (CHEBI:167531) is a glycoside (CHEBI:24400)
IUPAC Name 
(2R,3R)-3,5-dihydroxy-2-(4-hydroxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydrochromen-4-one
Manual XrefsDatabases
8631810ChemSpider