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CHEBI:110194 - 1-[4-[[(2S,4S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-2-oxanyl]oxy]-2-oxanyl]oxy]-2,6-dihydroxyphenyl]-3-(3-hydroxy-4-methoxyphenyl)-1-propanone

ChEBI IDCHEBI:110194
ChEBI Name1-[4-[[(2S,4S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-2-oxanyl]oxy]-2-oxanyl]oxy]-2,6-dihydroxyphenyl]-3-(3-hydroxy-4-methoxyphenyl)-1-propanone
Stars
DownloadsMolfile
FormulaC28H36O15
Net Charge0
Average Mass612.581
Monoisotopic Mass612.20542
SMILESCOc1ccc(CCC(=O)c2c(O)cc(O[C@@H]3O[C@H](CO)C(O)[C@H](O)C3O[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)cc2O)cc1O
InChIInChI=1S/C28H36O15/c1-11-21(34)23(36)25(38)27(40-11)43-26-24(37)22(35)19(10-29)42-28(26)41-13-8-16(32)20(17(33)9-13)14(30)5-3-12-4-6-18(39-2)15(31)7-12/h4,6-9,11,19,21-29,31-38H,3,5,10H2,1-2H3/t11-,19+,21-,22?,23+,24-,25+,26?,27-,28+/m0/s1
InChIKeyITVGXXMINPYUHD-YEQDQGAISA-N
ChEBI Ontology
Outgoing Relation(s)
1-[4-[[(2S,4S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-2-oxanyl]oxy]-2-oxanyl]oxy]-2,6-dihydroxyphenyl]-3-(3-hydroxy-4-methoxyphenyl)-1-propanone (CHEBI:110194) is a flavonoids (CHEBI:72544)
1-[4-[[(2S,4S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-2-oxanyl]oxy]-2-oxanyl]oxy]-2,6-dihydroxyphenyl]-3-(3-hydroxy-4-methoxyphenyl)-1-propanone (CHEBI:110194) is a glycoside (CHEBI:24400)
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