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CHEBI:192424 - eupatolitin 3-glucoside

ChEBI IDCHEBI:192424
ChEBI Nameeupatolitin 3-glucoside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC23H24O13
Net Charge0
Average Mass508.432
Monoisotopic Mass508.12169
SMILESCOc1cc2oc(-c3ccc(O)c(O)c3)c(O[C@H]3O[C@H](CO)[C@@H](O)C(O)C3O)c(=O)c2c(O)c1OC
InChIInChI=1S/C23H24O13/c1-32-12-6-11-14(16(28)21(12)33-2)17(29)22(20(34-11)8-3-4-9(25)10(26)5-8)36-23-19(31)18(30)15(27)13(7-24)35-23/h3-6,13,15,18-19,23-28,30-31H,7H2,1-2H3/t13-,15-,18?,19?,23-/m1/s1
InChIKeyQJJFDGNJOXCQPD-KLERPNLGSA-N
Species of MetaboliteComponentSourceComments
Pinus radiata (ncbitaxon:3347) leaf (BTO:0000713) MetaboLights (MTBLS4567)
ChEBI Ontology
Outgoing Relation(s)
eupatolitin 3-glucoside (CHEBI:192424) is a flavonoids (CHEBI:72544)
eupatolitin 3-glucoside (CHEBI:192424) is a glycoside (CHEBI:24400)
IUPAC Name 
2-(3,4-dihydroxyphenyl)-5-hydroxy-6,7-dimethoxy-3-[(2R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
Manual XrefsDatabases
LMPK12112899LIPID MAPS
24845496ChemSpider