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CHEBI:191695 - Kaempferol 3-(6-[4-glucosyl-p-coumaryl]glucosyl)(1->2)-rhamnoside

ChEBI IDCHEBI:191695
ChEBI NameKaempferol 3-(6-[4-glucosyl-p-coumaryl]glucosyl)(1->2)-rhamnoside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC42H46O22
Net Charge0
Average Mass902.808
Monoisotopic Mass902.24807
SMILESCC1O[C@H](Oc2c(-c3ccc(O)cc3)oc3cc(O)cc(O)c3c2=O)[C@@H](O[C@@H]2OC(COC(=O)/C=C/c3ccc(O[C@@H]4OC(CO)[C@@H](O)[C@H](O)C4O)cc3)[C@@H](O)C(O)C2O)C(O)[C@H]1O
InChIInChI=1S/C42H46O22/c1-16-28(48)34(54)39(42(58-16)63-38-31(51)27-22(46)12-20(45)13-23(27)60-37(38)18-5-7-19(44)8-6-18)64-41-36(56)33(53)30(50)25(62-41)15-57-26(47)11-4-17-2-9-21(10-3-17)59-40-35(55)32(52)29(49)24(14-43)61-40/h2-13,16,24-25,28-30,32-36,39-46,48-50,52-56H,14-15H2,1H3/b11-4+/t16?,24?,25?,28-,29+,30+,32-,33?,34?,35?,36?,39-,40+,41-,42+/m0/s1
InChIKeyIYWSDKILEAGLBX-LUURJCOYSA-N
Species of MetaboliteComponentSourceComments
Ulmus parvifolia (ncbitaxon:63058)
bark (BTO:0001301) MetaboLights (MTBLS4572)
seed (BTO:0001226) MetaboLights (MTBLS4572)
ChEBI Ontology
Outgoing Relation(s)
Kaempferol 3-(6-[4-glucosyl-p-coumaryl]glucosyl)(1->2)-rhamnoside (CHEBI:191695) is a flavonoids (CHEBI:72544)
Kaempferol 3-(6-[4-glucosyl-p-coumaryl]glucosyl)(1->2)-rhamnoside (CHEBI:191695) is a glycoside (CHEBI:24400)
IUPAC Name 
[(3S,6S)-6-[(2R,3S,5R)-2-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-3-yl]oxy-4,5-dihydroxy-6-methyloxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-[4-[(2S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]prop-2-enoate
Manual XrefsDatabases
LMPK12111898LIPID MAPS
24844640ChemSpider