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

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ChEBI Name isoliquiritigenin 4'-O-glucoside 4-O-apiofuranosyl-(1'''→2''')-glucoside
ChEBI ID CHEBI:140096
ChEBI ASCII Name isoliquiritigenin 4'-O-glucoside 4-O-apiofuranosyl-(1'''->2''')-glucoside
Stars This entity has been manually annotated by a third party.
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Formula C32H40O18
Net Charge 0
Average Mass 712.650
Monoisotopic Mass 712.22146
InChI InChI=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
InChIKey FYJCXNYYSACEJK-KFSIVPSGSA-N
SMILES O(C1[C@@H](O)[C@H](O)C(O[C@H]1OC2=CC=C(C=C2)/C=C/C(=O)C3=C(O)C=C(O[C@@H]4OC([C@@H](O)[C@H](O)C4O)CO)C=C3)CO)[C@@H]5OCC(O)([C@@H]5O)CO
ChEBI Ontology
Outgoing 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)
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Last Modified
12 February 2018