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CHEBI:177952 - Kaempferol 3-(3Rha-glucosylrutinoside)

ChEBI IDCHEBI:177952
ChEBI NameKaempferol 3-(3Rha-glucosylrutinoside)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC33H40O20
Net Charge0
Average Mass756.663
Monoisotopic Mass756.21129
SMILESCC1O[C@@H](OCC2O[C@@H](Oc3c(-c4ccc(O)cc4)oc4cc(O)cc(O)c4c3=O)C(O)C(O)[C@@H]2O)C(O)[C@@H](O[C@@H]2OC(CO)[C@@H](O)[C@H](O)C2O)[C@H]1O
InChIInChI=1S/C33H40O20/c1-10-19(38)29(52-32-25(44)23(42)20(39)16(8-34)50-32)27(46)31(48-10)47-9-17-21(40)24(43)26(45)33(51-17)53-30-22(41)18-14(37)6-13(36)7-15(18)49-28(30)11-2-4-12(35)5-3-11/h2-7,10,16-17,19-21,23-27,29,31-40,42-46H,8-9H2,1H3/t10?,16?,17?,19-,20+,21+,23-,24?,25?,26?,27?,29-,31+,32-,33-/m0/s1
InChIKeyMFIXKYXSBNIMPX-CJJSDWCWSA-N
Species of MetaboliteComponentSourceComments
Bombyx mori (ncbitaxon:7091) hemolymph (BTO:0000572) Article
ChEBI Ontology
Outgoing Relation(s)
Kaempferol 3-(3Rha-glucosylrutinoside) (CHEBI:177952) is a flavonoids (CHEBI:72544)
Kaempferol 3-(3Rha-glucosylrutinoside) (CHEBI:177952) is a glycoside (CHEBI:24400)
IUPAC Name 
3-[(2S,5S)-6-[[(2R,4S,5S)-3,5-dihydroxy-6-methyl-4-[(2S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one
Manual XrefsDatabases
LMPK12111746LIPID MAPS
24844490ChemSpider