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CHEBI:169894 - Kaempferol 3-[2''',3''',5'''-triacetyl-alpha-L-arabinofuranosyl-(1->6)-glucoside

ChEBI IDCHEBI:169894
ChEBI NameKaempferol 3-[2''',3''',5'''-triacetyl-alpha-L-arabinofuranosyl-(1->6)-glucoside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC32H34O18
Net Charge0
Average Mass706.606
Monoisotopic Mass706.17451
SMILESCC(=O)OC[C@@H]1O[C@@H](OCC2O[C@@H](Oc3c(-c4ccc(O)cc4)oc4cc(O)cc(O)c4c3=O)C(O)C(O)[C@@H]2O)C(OC(C)=O)[C@@H]1OC(C)=O
InChIInChI=1S/C32H34O18/c1-12(33)43-11-21-28(45-13(2)34)30(46-14(3)35)32(49-21)44-10-20-23(39)25(41)26(42)31(48-20)50-29-24(40)22-18(38)8-17(37)9-19(22)47-27(29)15-4-6-16(36)7-5-15/h4-9,20-21,23,25-26,28,30-32,36-39,41-42H,10-11H2,1-3H3/t20?,21-,23+,25?,26?,28+,30?,31-,32+/m0/s1
InChIKeyGNUSJIOAQXUIRK-WAINSCOPSA-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''',3''',5'''-triacetyl-alpha-L-arabinofuranosyl-(1->6)-glucoside (CHEBI:169894) is a flavonoids (CHEBI:72544)
Kaempferol 3-[2''',3''',5'''-triacetyl-alpha-L-arabinofuranosyl-(1->6)-glucoside (CHEBI:169894) is a glycoside (CHEBI:24400)
IUPAC Name 
[(2S,3R,5R)-3,4-diacetyloxy-5-[[(3S,6S)-6-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]oxolan-2-yl]methyl acetate
Manual XrefsDatabases
LMPK12111800LIPID MAPS
24844544ChemSpider