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CHEBI:184542 - Scutellarein 6,4'-dimethyl ether 7-(6''-acetylglucoside)

ChEBI IDCHEBI:184542
ChEBI NameScutellarein 6,4'-dimethyl ether 7-(6''-acetylglucoside)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H26O12
Net Charge0
Average Mass518.471
Monoisotopic Mass518.14243
SMILESCOc1ccc(-c2cc(=O)c3c(O)c(OC)c(O[C@@H]4OC(COC(C)=O)[C@@H](O)[C@H](O)C4O)cc3o2)cc1
InChIInChI=1S/C25H26O12/c1-11(26)34-10-18-20(28)22(30)23(31)25(37-18)36-17-9-16-19(21(29)24(17)33-3)14(27)8-15(35-16)12-4-6-13(32-2)7-5-12/h4-9,18,20,22-23,25,28-31H,10H2,1-3H3/t18?,20-,22+,23?,25-/m1/s1
InChIKeyFHBWUJAADRENKL-YYBMTHDGSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
Scutellarein 6,4'-dimethyl ether 7-(6''-acetylglucoside) (CHEBI:184542) is a flavonoids (CHEBI:72544)
Scutellarein 6,4'-dimethyl ether 7-(6''-acetylglucoside) (CHEBI:184542) is a glycoside (CHEBI:24400)
IUPAC Name 
[(3S,4S,6S)-3,4,5-trihydroxy-6-[5-hydroxy-6-methoxy-2-(4-methoxyphenyl)-4-oxochromen-7-yl]oxyoxan-2-yl]methyl acetate
Manual XrefsDatabases
24844092ChemSpider
LMPK12111157LIPID MAPS