CHEBI:186485 - Isoliquiritigenin 4,4'-diglucoside

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Isoliquiritigenin 4,4'-diglucoside
ChEBI ID CHEBI:186485
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C27H32O14
Net Charge 0
Average Mass 580.539
Monoisotopic Mass 580.17921
InChI InChI=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
InChIKey JELPWVHINQKKQW-KBBRGJEVSA-N
SMILES O1[C@@H](C(O)[C@@H](O)[C@@H](O)[C@@H]1OC2=CC(O)=C(C=C2)C(=O)\C=C\C3=CC=C(O[C@@H]4O[C@@H]([C@@H](O)[C@@H](O)[C@H]4O)CO)C=C3)CO
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Found in feces (BTO:0000440). of strain C57BL/6 Mouse [NCIT:C14424] See: MetaboLights Study
ChEBI Ontology
Outgoing 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 Xrefs Databases
24845863 ChemSpider
LMPK12120024 LIPID MAPS
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