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CHEBI:176409 - 5,7,3',4'-Tetrahydroxy-4-phenylcoumarin 5-O-glucoside

ChEBI IDCHEBI:176409
ChEBI Name5,7,3',4'-Tetrahydroxy-4-phenylcoumarin 5-O-glucoside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H20O11
Net Charge0
Average Mass448.380
Monoisotopic Mass448.10056
SMILESO=c1cc(-c2ccc(O)c(O)c2)c2c(O[C@@H]3OC(CO)[C@@H](O)[C@H](O)C3O)cc(O)cc2o1
InChIInChI=1S/C21H20O11/c22-7-15-18(27)19(28)20(29)21(32-15)31-14-5-9(23)4-13-17(14)10(6-16(26)30-13)8-1-2-11(24)12(25)3-8/h1-6,15,18-25,27-29H,7H2/t15?,18-,19+,20?,21-/m1/s1
InChIKeyVAPVFWUBNBLVMB-VVWFOWEGSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) blood plasma (BTO:0000131) MetaboLights (MTBLS2782) Strain: ICR Mouse [NCIT:C37408]
ChEBI Ontology
Outgoing Relation(s)
5,7,3',4'-Tetrahydroxy-4-phenylcoumarin 5-O-glucoside (CHEBI:176409) is a coumarins (CHEBI:23403)
5,7,3',4'-Tetrahydroxy-4-phenylcoumarin 5-O-glucoside (CHEBI:176409) is a glycoside (CHEBI:24400)
IUPAC Name 
4-(3,4-dihydroxyphenyl)-7-hydroxy-5-[(2S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one
Manual XrefsDatabases
24843128ChemSpider
LMPK12100033LIPID MAPS