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CHEBI:186485 - Isoliquiritigenin 4,4'-diglucoside

ChEBI IDCHEBI:186485
ChEBI NameIsoliquiritigenin 4,4'-diglucoside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H32O14
Net Charge0
Average Mass580.539
Monoisotopic Mass580.17921
SMILESO=C(/C=C/c1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)cc1)c1ccc(O[C@@H]2O[C@H](CO)C(O)[C@@H](O)[C@H]2O)cc1O
InChIInChI=1S/C27H32O14/c28-10-18-20(32)22(34)24(36)26(40-18)38-13-4-1-12(2-5-13)3-8-16(30)15-7-6-14(9-17(15)31)39-27-25(37)23(35)21(33)19(11-29)41-27/h1-9,18-29,31-37H,10-11H2/b8-3+/t18-,19-,20-,21?,22-,23-,24-,25-,26-,27-/m1/s1
InChIKeyJELPWVHINQKKQW-KBBRGJEVSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
Isoliquiritigenin 4,4'-diglucoside (CHEBI:186485) is a flavonoids (CHEBI:72544)
Isoliquiritigenin 4,4'-diglucoside (CHEBI:186485) is a glycoside (CHEBI:24400)
IUPAC Name 
(E)-1-[2-hydroxy-4-[(2S,3R,4R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-3-[4-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]prop-2-en-1-one
Manual XrefsDatabases
24845863ChemSpider
LMPK12120024LIPID MAPS