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CHEBI:184673 - 5,3',4'-Trihydroxy-7-methoxy-4-phenylcoumarin 5-O-glucoside

ChEBI IDCHEBI:184673
ChEBI Name5,3',4'-Trihydroxy-7-methoxy-4-phenylcoumarin 5-O-glucoside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H22O11
Net Charge0
Average Mass462.407
Monoisotopic Mass462.11621
SMILESCOc1cc(O[C@@H]2OC(CO)[C@@H](O)[C@H](O)C2O)c2c(-c3ccc(O)c(O)c3)cc(=O)oc2c1
InChIInChI=1S/C22H22O11/c1-30-10-5-14-18(11(7-17(26)31-14)9-2-3-12(24)13(25)4-9)15(6-10)32-22-21(29)20(28)19(27)16(8-23)33-22/h2-7,16,19-25,27-29H,8H2,1H3/t16?,19-,20+,21?,22-/m1/s1
InChIKeyJZBHUVGJBWDUSA-AKJGCJRBSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
5,3',4'-Trihydroxy-7-methoxy-4-phenylcoumarin 5-O-glucoside (CHEBI:184673) is a coumarins (CHEBI:23403)
5,3',4'-Trihydroxy-7-methoxy-4-phenylcoumarin 5-O-glucoside (CHEBI:184673) is a glycoside (CHEBI:24400)
IUPAC Name 
4-(3,4-dihydroxyphenyl)-7-methoxy-5-[(2S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one
Manual XrefsDatabases
LMPK12100041LIPID MAPS
24843134ChemSpider