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CHEBI:178156 - Kaempferol 3-[2''-(p-coumaroylglucosyl)rhamnoside]

ChEBI IDCHEBI:178156
ChEBI NameKaempferol 3-[2''-(p-coumaroylglucosyl)rhamnoside]
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC36H36O17
Net Charge0
Average Mass740.667
Monoisotopic Mass740.19525
SMILESC[C@@H]1OC(Oc2c(-c3ccc(O)cc3)oc3cc(O)cc(O)c3c2=O)[C@H](O[C@@H]2O[C@H](COC(=O)/C=C/c3ccc(O)cc3)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O
InChIInChI=1S/C36H36O17/c1-15-26(42)30(46)34(53-35-31(47)29(45)27(43)23(51-35)14-48-24(41)11-4-16-2-7-18(37)8-3-16)36(49-15)52-33-28(44)25-21(40)12-20(39)13-22(25)50-32(33)17-5-9-19(38)10-6-17/h2-13,15,23,26-27,29-31,34-40,42-43,45-47H,14H2,1H3/b11-4+/t15-,23+,26-,27+,29-,30+,31+,34+,35-,36?/m0/s1
InChIKeyKAJMZANRKFVVKV-CAUJCIISSA-N
Species of MetaboliteComponentSourceComments
Arisaema erubescens (ncbitaxon:228806) bulb (BTO:0000159) MetaboLights (MTBLS2858)
ChEBI Ontology
Outgoing Relation(s)
Kaempferol 3-[2''-(p-coumaroylglucosyl)rhamnoside] (CHEBI:178156) is a flavonoids (CHEBI:72544)
Kaempferol 3-[2''-(p-coumaroylglucosyl)rhamnoside] (CHEBI:178156) is a glycoside (CHEBI:24400)
IUPAC Name 
[(2R,3S,4S,5R,6S)-6-[(3R,4R,5R,6S)-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-hydroxyphenyl)prop-2-enoate
Manual XrefsDatabases
HMDB0040538HMDB
4947006ChemSpider
Registry NumbersSources
CAS:107190-70-5ChemIDplus