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CHEBI:192940 - 5,2',4',5'-Tetrahydroxy-7-methoxy-4-phenylcoumarin 5-O-glucoside

ChEBI IDCHEBI:192940
ChEBI Name5,2',4',5'-Tetrahydroxy-7-methoxy-4-phenylcoumarin 5-O-glucoside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H22O12
Net Charge0
Average Mass478.406
Monoisotopic Mass478.11113
SMILESCOc1cc(O[C@@H]2OC(CO)[C@@H](O)[C@H](O)C2O)c2c(-c3cc(O)c(O)cc3O)cc(=O)oc2c1
InChIInChI=1S/C22H22O12/c1-31-8-2-14-18(10(5-17(27)32-14)9-4-12(25)13(26)6-11(9)24)15(3-8)33-22-21(30)20(29)19(28)16(7-23)34-22/h2-6,16,19-26,28-30H,7H2,1H3/t16?,19-,20+,21?,22-/m1/s1
InChIKeyLKCRMORFQZVSHE-AKJGCJRBSA-N
Species of MetaboliteComponentSourceComments
Cryptomeria (ncbitaxon:3368) needle (BTO:0000917) MetaboLights (MTBLS3183) Strain: Cryptomeria fortunei Hooibrenk
ChEBI Ontology
Outgoing Relation(s)
5,2',4',5'-Tetrahydroxy-7-methoxy-4-phenylcoumarin 5-O-glucoside (CHEBI:192940) is a coumarins (CHEBI:23403)
5,2',4',5'-Tetrahydroxy-7-methoxy-4-phenylcoumarin 5-O-glucoside (CHEBI:192940) is a glycoside (CHEBI:24400)
IUPAC Name 
7-methoxy-5-[(2S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-(2,4,5-trihydroxyphenyl)chromen-2-one
Manual XrefsDatabases
24843129ChemSpider
LMPK12100035LIPID MAPS