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CHEBI:187573 - 8-Hydroxyluteolin 7-[6'''-acetylallosyl-(1->2)-6''-acetylglucoside]

ChEBI IDCHEBI:187573
ChEBI Name8-Hydroxyluteolin 7-[6'''-acetylallosyl-(1->2)-6''-acetylglucoside]
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC31H34O19
Net Charge0
Average Mass710.594
Monoisotopic Mass710.16943
SMILESCC(=O)OCC1O[C@@H](OC2[C@H](Oc3cc(O)c4c(=O)cc(-c5ccc(O)c(O)c5)oc4c3O)OC(COC(C)=O)[C@@H](O)[C@@H]2O)C(O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C31H34O19/c1-10(32)44-8-19-22(38)25(41)27(43)30(48-19)50-29-26(42)23(39)20(9-45-11(2)33)49-31(29)47-18-7-16(37)21-15(36)6-17(46-28(21)24(18)40)12-3-4-13(34)14(35)5-12/h3-7,19-20,22-23,25-27,29-31,34-35,37-43H,8-9H2,1-2H3/t19?,20?,22-,23-,25+,26+,27?,29?,30+,31-/m1/s1
InChIKeyFTPMODVTXJGVCJ-QLIHZZAMSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
8-Hydroxyluteolin 7-[6'''-acetylallosyl-(1->2)-6''-acetylglucoside] (CHEBI:187573) is a flavonoids (CHEBI:72544)
8-Hydroxyluteolin 7-[6'''-acetylallosyl-(1->2)-6''-acetylglucoside] (CHEBI:187573) is a glycoside (CHEBI:24400)
IUPAC Name 
[(3S,4S,6S)-6-[(2S,4S,5S)-6-(acetyloxymethyl)-2-[2-(3,4-dihydroxyphenyl)-5,8-dihydroxy-4-oxochromen-7-yl]oxy-4,5-dihydroxyoxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl acetate
Manual XrefsDatabases
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24844238ChemSpider