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CHEBI:186046 - 4,6,4'-Trihydroxy-7-methylaurone 4-rhamnoside

ChEBI IDCHEBI:186046
ChEBI Name4,6,4'-Trihydroxy-7-methylaurone 4-rhamnoside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H22O9
Net Charge0
Average Mass430.409
Monoisotopic Mass430.12638
SMILESCc1c(O)cc(O[C@@H]2OC(C)[C@H](O)[C@H](O)C2O)c2c1OC(=Cc1ccc(O)cc1)C2=O
InChIInChI=1S/C22H22O9/c1-9-13(24)8-14(31-22-20(28)19(27)17(25)10(2)29-22)16-18(26)15(30-21(9)16)7-11-3-5-12(23)6-4-11/h3-8,10,17,19-20,22-25,27-28H,1-2H3/t10?,17-,19-,20?,22-/m0/s1
InChIKeyQHCYSTGSLGXKMF-NVFDGEQYSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
4,6,4'-Trihydroxy-7-methylaurone 4-rhamnoside (CHEBI:186046) is a aurones (CHEBI:72576)
4,6,4'-Trihydroxy-7-methylaurone 4-rhamnoside (CHEBI:186046) is a glycoside (CHEBI:24400)
IUPAC Name 
6-hydroxy-2-[(4-hydroxyphenyl)methylidene]-7-methyl-4-[(2S,4S,5R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-1-benzouran-3-one
Manual XrefsDatabases
LMPK12130026LIPID MAPS
24846169ChemSpider