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CHEBI:169100 - Kaempferol 3-(2''-acetylrhamnoside)

ChEBI IDCHEBI:169100
ChEBI NameKaempferol 3-(2''-acetylrhamnoside)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC23H22O11
Net Charge0
Average Mass474.418
Monoisotopic Mass474.11621
SMILESCC(=O)O[C@H]1C(O)[C@@H](O)C(C)O[C@H]1Oc1c(-c2ccc(O)cc2)oc2cc(O)cc(O)c2c1=O
InChIInChI=1S/C23H22O11/c1-9-17(28)19(30)22(32-10(2)24)23(31-9)34-21-18(29)16-14(27)7-13(26)8-15(16)33-20(21)11-3-5-12(25)6-4-11/h3-9,17,19,22-23,25-28,30H,1-2H3/t9?,17-,19?,22-,23-/m0/s1
InChIKeyQGPZJURATJCKHO-ZLTZYOPHSA-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)
Kaempferol 3-(2''-acetylrhamnoside) (CHEBI:169100) is a flavonoids (CHEBI:72544)
Kaempferol 3-(2''-acetylrhamnoside) (CHEBI:169100) is a glycoside (CHEBI:24400)
IUPAC Name 
[(2S,3S,5R)-2-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-3-yl]oxy-4,5-dihydroxy-6-methyloxan-3-yl] acetate
Manual XrefsDatabases
LMPK12111883LIPID MAPS
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