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CHEBI:168131 - 8-Hydroxyluteolin 4'-methyl ether 7-(6'''-acetylallosyl)(1->2)(6''-acetylglucoside)

ChEBI IDCHEBI:168131
ChEBI Name8-Hydroxyluteolin 4'-methyl ether 7-(6'''-acetylallosyl)(1->2)(6''-acetylglucoside)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC32H36O19
Net Charge0
Average Mass724.621
Monoisotopic Mass724.18508
SMILESCOc1ccc(-c2cc(=O)c3c(O)cc(O[C@@H]4OC(COC(C)=O)[C@@H](O)[C@H](O)C4O[C@@H]4OC(COC(C)=O)[C@@H](O)[C@H](O)C4O)c(O)c3o2)cc1O
InChIInChI=1S/C32H36O19/c1-11(33)45-9-20-23(38)26(41)28(43)31(49-20)51-30-27(42)24(39)21(10-46-12(2)34)50-32(30)48-19-8-16(37)22-15(36)7-18(47-29(22)25(19)40)13-4-5-17(44-3)14(35)6-13/h4-8,20-21,23-24,26-28,30-32,35,37-43H,9-10H2,1-3H3/t20?,21?,23-,24-,26+,27+,28?,30?,31+,32-/m1/s1
InChIKeyZXQCHXLLIKMUTB-WIFPZZFDSA-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)
8-Hydroxyluteolin 4'-methyl ether 7-(6'''-acetylallosyl)(1->2)(6''-acetylglucoside) (CHEBI:168131) is a flavonoids (CHEBI:72544)
8-Hydroxyluteolin 4'-methyl ether 7-(6'''-acetylallosyl)(1->2)(6''-acetylglucoside) (CHEBI:168131) is a glycoside (CHEBI:24400)
IUPAC Name 
[(3S,4S,6S)-6-[(2S,4S,5S)-6-(acetyloxymethyl)-2-[5,8-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-4-oxochromen-7-yl]oxy-4,5-dihydroxyoxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl acetate
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