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CHEBI:191991 - Luteolin 3'-(3''-acetylglucuronide)

ChEBI IDCHEBI:191991
ChEBI NameLuteolin 3'-(3''-acetylglucuronide)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC23H20O13
Net Charge0
Average Mass504.400
Monoisotopic Mass504.09039
SMILESCC(=O)OC1C(O)[C@H](Oc2cc(-c3cc(=O)c4c(O)cc(O)cc4o3)ccc2O)OC(C(=O)O)[C@H]1O
InChIInChI=1S/C23H20O13/c1-8(24)33-20-18(29)21(22(31)32)36-23(19(20)30)35-15-4-9(2-3-11(15)26)14-7-13(28)17-12(27)5-10(25)6-16(17)34-14/h2-7,18-21,23,25-27,29-30H,1H3,(H,31,32)/t18-,19?,20?,21?,23+/m0/s1
InChIKeyODVPGHBKUZXZJN-PWWCDPQYSA-N
Species of MetaboliteComponentSourceComments
Populus trichocarpa (ncbitaxon:3694) root (BTO:0001188) MetaboLights (MTBLS4196)
ChEBI Ontology
Outgoing Relation(s)
Luteolin 3'-(3''-acetylglucuronide) (CHEBI:191991) is a flavonoids (CHEBI:72544)
Luteolin 3'-(3''-acetylglucuronide) (CHEBI:191991) is a β-D-glucosiduronic acid (CHEBI:15341)
IUPAC Name 
(3S,6S)-4-acetyloxy-6-[5-(5,7-dihydroxy-4-oxochromen-2-yl)-2-hydroxyphenoxy]-3,5-dihydroxyoxane-2-carboxylic acid
Manual XrefsDatabases
24843733ChemSpider
LMPK12110703LIPID MAPS