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CHEBI:185884 - 5,4'-Dihydroxy-7-methoxy-4-phenylcoumarin 5-O-galactoside

ChEBI IDCHEBI:185884
ChEBI Name5,4'-Dihydroxy-7-methoxy-4-phenylcoumarin 5-O-galactoside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H22O10
Net Charge0
Average Mass446.408
Monoisotopic Mass446.12130
SMILESCOc1cc(O[C@@H]2OC(CO)[C@H](O)[C@H](O)C2O)c2c(-c3ccc(O)cc3)cc(=O)oc2c1
InChIInChI=1S/C22H22O10/c1-29-12-6-14-18(13(8-17(25)30-14)10-2-4-11(24)5-3-10)15(7-12)31-22-21(28)20(27)19(26)16(9-23)32-22/h2-8,16,19-24,26-28H,9H2,1H3/t16?,19-,20-,21?,22+/m0/s1
InChIKeyRHQMMFRZBGVKSM-AWQPHPQLSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
5,4'-Dihydroxy-7-methoxy-4-phenylcoumarin 5-O-galactoside (CHEBI:185884) is a coumarins (CHEBI:23403)
5,4'-Dihydroxy-7-methoxy-4-phenylcoumarin 5-O-galactoside (CHEBI:185884) is a glycoside (CHEBI:24400)
IUPAC Name 
4-(4-hydroxyphenyl)-7-methoxy-5-[(2S,4S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one
Manual XrefsDatabases
24843132ChemSpider
LMPK12100039LIPID MAPS