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CHEBI:186783 - Luteolin 3'-methyl ether 7-glucuronide-4'-rhamnoside

ChEBI IDCHEBI:186783
ChEBI NameLuteolin 3'-methyl ether 7-glucuronide-4'-rhamnoside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H30O16
Net Charge0
Average Mass622.532
Monoisotopic Mass622.15338
SMILESCOc1cc(-c2cc(=O)c3c(O)cc(O[C@@H]4OC(C(=O)O)[C@@H](O)[C@H](O)C4O)cc3o2)ccc1O[C@@H]1OC(C)[C@H](O)C(O)[C@@H]1O
InChIInChI=1S/C28H30O16/c1-9-19(31)20(32)23(35)27(40-9)43-14-4-3-10(5-16(14)39-2)15-8-13(30)18-12(29)6-11(7-17(18)42-15)41-28-24(36)21(33)22(34)25(44-28)26(37)38/h3-9,19-25,27-29,31-36H,1-2H3,(H,37,38)/t9?,19-,20?,21-,22-,23-,24?,25?,27-,28+/m0/s1
InChIKeyZENWXUBCITVBTM-VGFILIKDSA-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 3'-methyl ether 7-glucuronide-4'-rhamnoside (CHEBI:186783) is a flavonoids (CHEBI:72544)
Luteolin 3'-methyl ether 7-glucuronide-4'-rhamnoside (CHEBI:186783) is a glucosiduronic acid (CHEBI:24302)
IUPAC Name 
(3S,4S,6S)-3,4,5-trihydroxy-6-[5-hydroxy-2-[3-methoxy-4-[(2S,3S,5R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyphenyl]-4-oxochromen-7-yl]oxyoxane-2-carboxylic acid
Manual XrefsDatabases
LMPK12110782LIPID MAPS
24843805ChemSpider