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

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Kaempferol 3-(2''-acetylrhamnoside)
ChEBI ID CHEBI:169100
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C23H22O11
Net Charge 0
Average Mass 474.418
Monoisotopic Mass 474.11621
InChI InChI=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
InChIKey QGPZJURATJCKHO-ZLTZYOPHSA-N
SMILES O1C([C@H](O)C(O)[C@H](OC(=O)C)[C@@H]1OC2=C(OC=3C(C2=O)=C(O)C=C(O)C3)C4=CC=C(O)C=C4)C
Metabolite of Species Details
Malus domestica (NCBI:txid3750) Found in exocarp (BTO:0000733). of strain Malus x domestica Borkh. cv. Ruixue See: MetaboLights Study
ChEBI Ontology
Outgoing 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 Xrefs Databases
24844625 ChemSpider
LMPK12111883 LIPID MAPS
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