Liquiritin

Upper classes

IDs and Links
LipidBank	[1]
LipidMaps	[2]
CAS	551-15-5
KEGG	{{{KEGG}}}
KNApSAcK	[3]
CDX file
MOL file	Liquiritin.mol

Liquiritin
Structural Information
Systematic Name	(2S)-2-[4-(beta-D-Glucopyranosyloxy)phenyl]-2,3-dihydro-7-hydroxy-4H-1-benzopyran-4-one
Common Name	Liquiritin (S)-2-[4-(beta-D-Glucopyranosyloxy)phenyl]-2,3-dihydro-7-hydroxy-4H-1-benzopyran-4-one Liquiritin 4',7-Dihydroxyflavanone 4'-(beta-D-glucopyranoside) 4',7-Dihydroxyflavanone 4'-(beta-D-glucoside) 7-Hydroxyflavanone 4'-O-glucoside Likviritin Liquiritoside
Symbol
Formula	C21H22O9
Exact Mass	418.126382302
Average Mass	418.39398
SMILES	OCC(O1)C(O)C(O)C(O)C(Oc(c4)ccc(c4)C(C2)Oc(c3)c(ccc(O)3)C(=O)2)1
Physicochemical Information
Melting Point
Boiling Point
Density
Optical Rotation
Reflactive Index
Solubility
Spectral Information
Mass Spectra
UV Spectra
IR Spectra
NMR Spectra
Chromatograms

Glycyrrhizae Radix LC-MS

Mass Spectral Data

Liquiritin fragmentation

m/z 417 [M-H]-

-glucose

m/z 255

retro Diels-Alder m/z 135 (1,3A-)  -CO2 m/z 91  retro Diels-Alder m/z 119 (1,3B-)  retrocyclization m/z 167

Neoliquiritin fragmentation

m/z 417 [M-H]-	-glucose	m/z 255	→ the same as liquiritin
	retro Diels-Alder	m/z 297 (1,3A-)	-CO m/z 269  -CO2 m/z 253