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CHEBI:187157 - 6-Hydroxyluteolin 5,6,3',4'-tetramethyl eter 7-cellobioside

ChEBI IDCHEBI:187157
ChEBI Name6-Hydroxyluteolin 5,6,3',4'-tetramethyl eter 7-cellobioside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC31H38O17
Net Charge0
Average Mass682.628
Monoisotopic Mass682.21090
SMILESCOc1ccc(-c2cc(=O)c3c(OC)c(OC)c(O[C@@H]4OC(CO)[C@@H](O[C@@H]5OC(CO)[C@@H](O)[C@H](O)C5O)[C@H](O)C4O)cc3o2)cc1OC
InChIInChI=1S/C31H38O17/c1-40-14-6-5-12(7-16(14)41-2)15-8-13(34)21-17(44-15)9-18(28(42-3)29(21)43-4)45-30-26(39)24(37)27(20(11-33)47-30)48-31-25(38)23(36)22(35)19(10-32)46-31/h5-9,19-20,22-27,30-33,35-39H,10-11H2,1-4H3/t19?,20?,22-,23+,24-,25?,26?,27-,30-,31+/m1/s1
InChIKeyNFQSGUMEUIEJAI-DEZGATGVSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
6-Hydroxyluteolin 5,6,3',4'-tetramethyl eter 7-cellobioside (CHEBI:187157) is a flavonoids (CHEBI:72544)
6-Hydroxyluteolin 5,6,3',4'-tetramethyl eter 7-cellobioside (CHEBI:187157) is a glycoside (CHEBI:24400)
IUPAC Name 
7-[(2S,4R,5S)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2-(3,4-dimethoxyphenyl)-5,6-dimethoxychromen-4-one
Manual XrefsDatabases
24844149ChemSpider
LMPK12111226LIPID MAPS