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CHEBI:169819 - 5,7-Dihydroxy-3,6,8,4'-tetramethoxyflavone 7-glucosyl-(1->3)-galactoside

ChEBI IDCHEBI:169819
ChEBI Name5,7-Dihydroxy-3,6,8,4'-tetramethoxyflavone 7-glucosyl-(1->3)-galactoside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC31H38O18
Net Charge0
Average Mass698.627
Monoisotopic Mass698.20581
SMILESCOc1ccc(-c2oc3c(OC)c(O[C@@H]4OC(CO)[C@H](O)[C@H](O[C@@H]5OC(CO)[C@@H](O)[C@H](O)C5O)C4O)c(OC)c(O)c3c(=O)c2OC)cc1
InChIInChI=1S/C31H38O18/c1-41-12-7-5-11(6-8-12)23-26(42-2)18(36)15-19(37)27(43-3)29(28(44-4)24(15)47-23)49-31-22(40)25(17(35)14(10-33)46-31)48-30-21(39)20(38)16(34)13(9-32)45-30/h5-8,13-14,16-17,20-22,25,30-35,37-40H,9-10H2,1-4H3/t13?,14?,16-,17+,20+,21?,22?,25+,30+,31+/m1/s1
InChIKeyCPQQGBFDSMDQET-JNWUDHPISA-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)
5,7-Dihydroxy-3,6,8,4'-tetramethoxyflavone 7-glucosyl-(1->3)-galactoside (CHEBI:169819) is a flavonoids (CHEBI:72544)
5,7-Dihydroxy-3,6,8,4'-tetramethoxyflavone 7-glucosyl-(1->3)-galactoside (CHEBI:169819) is a glycoside (CHEBI:24400)
IUPAC Name 
7-[(2S,4S,5S)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(2S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-3,6,8-trimethoxy-2-(4-methoxyphenyl)chromen-4-one
Manual XrefsDatabases
LMPK12113302LIPID MAPS
24845801ChemSpider