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CHEBI:166639 - Kaempferol-7-O-neohesperidoside

ChEBI IDCHEBI:166639
ChEBI NameKaempferol-7-O-neohesperidoside
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SubmitterMetaboLights
DownloadsMolfile
FormulaC27H30O15
Net Charge0
Average Mass594.522
Monoisotopic Mass594.15847
SMILESCC1O[C@@H](OC2[C@H](Oc3cc(O)c4c(=O)c(O)c(-c5ccc(O)cc5)oc4c3)OC(CO)[C@@H](O)[C@H]2O)C(O)[C@@H](O)[C@H]1O
InChIInChI=1S/C27H30O15/c1-9-17(31)20(34)23(37)26(38-9)42-25-21(35)18(32)15(8-28)41-27(25)39-12-6-13(30)16-14(7-12)40-24(22(36)19(16)33)10-2-4-11(29)5-3-10/h2-7,9,15,17-18,20-21,23,25-32,34-37H,8H2,1H3/t9?,15?,17-,18+,20-,21+,23?,25?,26-,27+/m0/s1
InChIKeyZEJXENDZTYVXDP-PFSRXUBLSA-N
ChEBI Ontology
Outgoing Relation(s)
Kaempferol-7-O-neohesperidoside (CHEBI:166639) is a flavonoids (CHEBI:72544)
Kaempferol-7-O-neohesperidoside (CHEBI:166639) is a glycoside (CHEBI:24400)
IUPAC Name 
7-[(2S,4R,5S)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,4S,5R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-3,5-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one
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