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CHEBI:185056 - Luteolin 7-[6''-(2-methylbutyryl)glucoside]

ChEBI IDCHEBI:185056
ChEBI NameLuteolin 7-[6''-(2-methylbutyryl)glucoside]
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC26H28O12
Net Charge0
Average Mass532.498
Monoisotopic Mass532.15808
SMILESCCC(C)C(=O)OCC1O[C@@H](Oc2cc(O)c3c(=O)cc(-c4ccc(O)c(O)c4)oc3c2)C(O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C26H28O12/c1-3-11(2)25(34)35-10-20-22(31)23(32)24(33)26(38-20)36-13-7-16(29)21-17(30)9-18(37-19(21)8-13)12-4-5-14(27)15(28)6-12/h4-9,11,20,22-24,26-29,31-33H,3,10H2,1-2H3/t11?,20?,22-,23+,24?,26-/m1/s1
InChIKeyDFKGGJWKZISAJE-NNYLZJJASA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
Luteolin 7-[6''-(2-methylbutyryl)glucoside] (CHEBI:185056) is a flavonoids (CHEBI:72544)
Luteolin 7-[6''-(2-methylbutyryl)glucoside] (CHEBI:185056) is a glycoside (CHEBI:24400)
IUPAC Name 
[(3S,4S,6S)-6-[2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxochromen-7-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl 2-methylbutanoate
Manual XrefsDatabases
LMPK12110701LIPID MAPS
24843731ChemSpider