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CHEBI:185416 - Kaempferol 7,4'-dimethyl ether 3-neohesperidoside

ChEBI IDCHEBI:185416
ChEBI NameKaempferol 7,4'-dimethyl ether 3-neohesperidoside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC29H34O15
Net Charge0
Average Mass622.576
Monoisotopic Mass622.18977
SMILESCOc1ccc(-c2oc3cc(OC)cc(O)c3c(=O)c2O[C@@H]2OC(CO)[C@@H](O)[C@H](O)C2O[C@@H]2OC(C)[C@H](O)C(O)[C@@H]2O)cc1
InChIInChI=1S/C29H34O15/c1-11-19(32)22(35)24(37)28(40-11)44-27-23(36)20(33)17(10-30)42-29(27)43-26-21(34)18-15(31)8-14(39-3)9-16(18)41-25(26)12-4-6-13(38-2)7-5-12/h4-9,11,17,19-20,22-24,27-33,35-37H,10H2,1-3H3/t11?,17?,19-,20+,22?,23-,24-,27?,28-,29-/m0/s1
InChIKeyJIKPQXBHZBMAEG-NDOMXZFKSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
Kaempferol 7,4'-dimethyl ether 3-neohesperidoside (CHEBI:185416) is a flavonoids (CHEBI:72544)
Kaempferol 7,4'-dimethyl ether 3-neohesperidoside (CHEBI:185416) is a glycoside (CHEBI:24400)
IUPAC Name 
3-[(2S,4S,5S)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3S,5R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-7-methoxy-2-(4-methoxyphenyl)chromen-4-one
Manual XrefsDatabases
LMPK12112593LIPID MAPS
24845264ChemSpider