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CHEBI:229867 - anadanthoside

ChEBI IDCHEBI:229867
ChEBI Nameanadanthoside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H22O9
Net Charge0
Average Mass406.387
Monoisotopic Mass406.12638
SMILESOc1ccc2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@@H](O[C@@H]1OCC(O)[C@@H](O)[C@@H]1O)C2
InChIInChI=1S/C20H22O9/c21-11-3-1-9-6-16(29-20-18(26)17(25)14(24)8-27-20)19(28-15(9)7-11)10-2-4-12(22)13(23)5-10/h1-5,7,14,16-26H,6,8H2/t14?,16-,17+,18-,19+,20-/m0/s1
InChIKeyAAXSQJZTSPDAGW-DGLFJVASSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) feces (BTO:0000440) MetaboLights (MTBLS9087)
ChEBI Ontology
Outgoing Relation(s)
anadanthoside (CHEBI:229867) is a flavonoids (CHEBI:72544)
anadanthoside (CHEBI:229867) is a glycoside (CHEBI:24400)
IUPAC Name 
(2S,3S,4R)-2-[[(2R,3S)-2-(3,4-dihydroxyphenyl)-7-hydroxy-3,4-dihydro-2H-chromen-3-yl]oxy]oxane-3,4,5-triol
Manual XrefsDatabases
24842494ChemSpider
LMPK12020009LIPID MAPS