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CHEBI:168443 - 6-Hydroxykaempferol 3,6-dimethyl ether 7-glucoside

Default Structure
ChEBI IDCHEBI:168443
ChEBI Name6-Hydroxykaempferol 3,6-dimethyl ether 7-glucoside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H26O11
Net Charge0
Average Mass490.461
Monoisotopic Mass490.14751
SMILESCCC1O[C@@H](Oc2cc3oc(-c4ccc(O)cc4)c(OC)c(=O)c3c(O)c2OC)C(O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C24H26O11/c1-4-12-16(26)19(29)20(30)24(34-12)35-14-9-13-15(17(27)22(14)31-2)18(28)23(32-3)21(33-13)10-5-7-11(25)8-6-10/h5-9,12,16,19-20,24-27,29-30H,4H2,1-3H3/t12?,16-,19+,20?,24+/m1/s1
InChIKeyFMYFYHHLKNMRHS-FAHPYEKDSA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
ChEBI Ontology
Outgoing Relation(s)
6-Hydroxykaempferol 3,6-dimethyl ether 7-glucoside (CHEBI:168443) is a flavonoids (CHEBI:72544)
6-Hydroxykaempferol 3,6-dimethyl ether 7-glucoside (CHEBI:168443) is a glycoside (CHEBI:24400)
IUPAC Name 
7-[(2S,4S,5S)-6-ethyl-3,4,5-trihydroxyoxan-2-yl]oxy-5-hydroxy-2-(4-hydroxyphenyl)-3,6-dimethoxychromen-4-one
Manual XrefsDatabases
24845453ChemSpider
LMPK12112838LIPID MAPS