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CHEBI:187121 - Kaempferide 5-glucoside-7-glucuronide

ChEBI IDCHEBI:187121
ChEBI NameKaempferide 5-glucoside-7-glucuronide
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H30O17
Net Charge0
Average Mass638.531
Monoisotopic Mass638.14830
SMILESCOc1ccc(-c2oc3cc(O[C@@H]4OC(C(=O)O)[C@@H](O)[C@H](O)C4O)cc(O[C@@H]4OC(CO)[C@@H](O)[C@H](O)C4O)c3c(=O)c2O)cc1
InChIInChI=1S/C28H30O17/c1-40-10-4-2-9(3-5-10)24-20(34)17(31)15-12(42-24)6-11(41-27-23(37)19(33)21(35)25(45-27)26(38)39)7-13(15)43-28-22(36)18(32)16(30)14(8-29)44-28/h2-7,14,16,18-19,21-23,25,27-30,32-37H,8H2,1H3,(H,38,39)/t14?,16-,18+,19+,21+,22?,23?,25?,27-,28-/m1/s1
InChIKeyFBOLUQCMQZDDDO-GFHQIKDCSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
Kaempferide 5-glucoside-7-glucuronide (CHEBI:187121) is a flavonoids (CHEBI:72544)
Kaempferide 5-glucoside-7-glucuronide (CHEBI:187121) is a glucosiduronic acid (CHEBI:24302)
IUPAC Name 
(3S,4S,6S)-3,4,5-trihydroxy-6-[3-hydroxy-2-(4-methoxyphenyl)-4-oxo-5-[(2S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-7-yl]oxyoxane-2-carboxylic acid
Manual XrefsDatabases
LMPK12110555LIPID MAPS
24843593ChemSpider