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CHEBI:186532 - Kaempferol 3-rhamnoside-7-[6'''-ferulyglucosyl-(1->3)-rhamnoside]

ChEBI IDCHEBI:186532
ChEBI NameKaempferol 3-rhamnoside-7-[6'''-ferulyglucosyl-(1->3)-rhamnoside]
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC43H48O22
Net Charge0
Average Mass916.835
Monoisotopic Mass916.26372
SMILESCOc1cc(/C=C/C(=O)OC[C@H]2O[C@@H](O[C@@H]3[C@@H](O)[C@H](C)O[C@@H](Oc4cc(O)c5c(=O)c(O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)c(-c6ccc(O)cc6)oc5c4)[C@@H]3O)[C@H](O)[C@@H](O)[C@@H]2O)ccc1O
InChIInChI=1S/C43H48O22/c1-16-29(48)33(52)35(54)41(59-16)65-40-32(51)28-23(46)13-21(14-25(28)62-38(40)19-6-8-20(44)9-7-19)61-43-37(56)39(30(49)17(2)60-43)64-42-36(55)34(53)31(50)26(63-42)15-58-27(47)11-5-18-4-10-22(45)24(12-18)57-3/h4-14,16-17,26,29-31,33-37,39,41-46,48-50,52-56H,15H2,1-3H3/b11-5+/t16-,17-,26+,29-,30-,31+,33+,34-,35+,36+,37+,39+,41-,42-,43-/m0/s1
InChIKeyXLGPQHJWWDGNEY-DBAQLUFNSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
Kaempferol 3-rhamnoside-7-[6'''-ferulyglucosyl-(1->3)-rhamnoside] (CHEBI:186532) is a flavonoids (CHEBI:72544)
Kaempferol 3-rhamnoside-7-[6'''-ferulyglucosyl-(1->3)-rhamnoside] (CHEBI:186532) is a glycoside (CHEBI:24400)
IUPAC Name 
[(2R,3S,4S,5R,6S)-6-[(2S,3R,4R,5S,6S)-3,5-dihydroxy-2-[5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychromen-7-yl]oxy-6-methyloxan-4-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
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