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CHEBI:184520 - 5,7,2',3',4'-Pentahydroxy-3,6-dimethoxyflavone 7-glucoside

Default Structure
ChEBI IDCHEBI:184520
ChEBI Name5,7,2',3',4'-Pentahydroxy-3,6-dimethoxyflavone 7-glucoside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC23H24O14
Net Charge0
Average Mass524.431
Monoisotopic Mass524.11661
SMILESCOc1c(O[C@@H]2OC(CO)[C@@H](O)[C@H](O)C2O)cc2oc(-c3ccc(O)c(O)c3O)c(OC)c(=O)c2c1O
InChIInChI=1S/C23H24O14/c1-33-21-10(36-23-19(32)18(31)15(28)11(6-24)37-23)5-9-12(16(21)29)17(30)22(34-2)20(35-9)7-3-4-8(25)14(27)13(7)26/h3-5,11,15,18-19,23-29,31-32H,6H2,1-2H3/t11?,15-,18+,19?,23-/m1/s1
InChIKeyVRDVBYFMIGJXEG-ACOOXCBMSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
5,7,2',3',4'-Pentahydroxy-3,6-dimethoxyflavone 7-glucoside (CHEBI:184520) is a flavonoids (CHEBI:72544)
5,7,2',3',4'-Pentahydroxy-3,6-dimethoxyflavone 7-glucoside (CHEBI:184520) is a glycoside (CHEBI:24400)
IUPAC Name 
5-hydroxy-3,6-dimethoxy-7-[(2S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-(2,3,4-trihydroxyphenyl)chromen-4-one
Manual XrefsDatabases
24845608ChemSpider
LMPK12113046LIPID MAPS