EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:140096 - isoliquiritigenin 4'-O-glucoside 4-O-apiofuranosyl-(1'''→2''')-glucoside

ChEBI IDCHEBI:140096
ChEBI Nameisoliquiritigenin 4'-O-glucoside 4-O-apiofuranosyl-(1'''→2''')-glucoside
Stars
ASCII Nameisoliquiritigenin 4'-O-glucoside 4-O-apiofuranosyl-(1'''->2''')-glucoside
Last Modified12 February 2018
Submittermwilliams
DownloadsMolfile
FormulaC32H40O18
Net Charge0
Average Mass712.654
Monoisotopic Mass712.22146
SMILESO=C(/C=C/c1ccc(O[C@@H]2OC(CO)[C@@H](O)[C@H](O)C2O[C@@H]2OCC(O)(CO)[C@@H]2O)cc1)c1ccc(O[C@@H]2OC(CO)[C@@H](O)[C@H](O)C2O)cc1O
InChIInChI=1S/C32H40O18/c33-10-20-22(38)24(40)26(42)29(48-20)47-16-6-7-17(19(37)9-16)18(36)8-3-14-1-4-15(5-2-14)46-30-27(25(41)23(39)21(11-34)49-30)50-31-28(43)32(44,12-35)13-45-31/h1-9,20-31,33-35,37-44H,10-13H2/b8-3+/t20?,21?,22-,23-,24+,25+,26?,27?,28-,29-,30-,31+,32?/m1/s1
InChIKeyFYJCXNYYSACEJK-KFSIVPSGSA-N
ChEBI Ontology
Outgoing Relation(s)
isoliquiritigenin 4'-O-glucoside 4-O-apiofuranosyl-(1'''→2''')-glucoside (CHEBI:140096) is a flavonoids (CHEBI:72544)
isoliquiritigenin 4'-O-glucoside 4-O-apiofuranosyl-(1'''→2''')-glucoside (CHEBI:140096) is a glycoside (CHEBI:24400)
Manual XrefsDatabases
LMPK12120027LIPID MAPS