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CHEBI:188342 - Kaempferol 3-(2''-(E)-p-coumaroyl-alpha-L-arabinofuranoside)-7-rhamnoside

ChEBI IDCHEBI:188342
ChEBI NameKaempferol 3-(2''-(E)-p-coumaroyl-alpha-L-arabinofuranoside)-7-rhamnoside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC35H34O16
Net Charge0
Average Mass710.641
Monoisotopic Mass710.18469
SMILESCC1O[C@@H](Oc2cc(O)c3c(=O)c(O[C@@H]4O[C@@H](CO)C(O)[C@@H]4OC(=O)/C=C/c4ccc(O)cc4)c(-c4ccc(O)cc4)oc3c2)[C@@H](O)C(O)[C@H]1O
InChIInChI=1S/C35H34O16/c1-15-26(41)29(44)30(45)34(46-15)47-20-12-21(39)25-22(13-20)48-31(17-5-9-19(38)10-6-17)32(28(25)43)51-35-33(27(42)23(14-36)49-35)50-24(40)11-4-16-2-7-18(37)8-3-16/h2-13,15,23,26-27,29-30,33-39,41-42,44-45H,14H2,1H3/b11-4+/t15?,23-,26-,27?,29?,30-,33-,34-,35-/m0/s1
InChIKeyWQDPFLCPSSBWSG-IKQUNALSSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood plasma (BTO:0000131) MetaboLights (MTBLS2224)
ChEBI Ontology
Outgoing Relation(s)
Kaempferol 3-(2''-(E)-p-coumaroyl-alpha-L-arabinofuranoside)-7-rhamnoside (CHEBI:188342) is a flavonoids (CHEBI:72544)
Kaempferol 3-(2''-(E)-p-coumaroyl-alpha-L-arabinofuranoside)-7-rhamnoside (CHEBI:188342) is a glycoside (CHEBI:24400)
IUPAC Name 
[(2S,3S,5S)-4-hydroxy-2-[5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-7-[(2S,3S,5R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychromen-3-yl]oxy-5-(hydroxymethyl)oxolan-3-yl] (E)-3-(4-hydroxyphenyl)prop-2-enoate
Manual XrefsDatabases
LMPK12111956LIPID MAPS
24844698ChemSpider