Liquiritin
From Metabolomics.JP
Upper classes
IDs and Links | |
---|---|
LipidBank | [1] |
LipidMaps | [2] |
CAS | 551-15-5 |
KEGG | {{{KEGG}}} |
KNApSAcK | |
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 |
|
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 |
Physicochemical Information | |
Melting Point | |
Boiling Point | |
Density | |
Optical Rotation | |
Reflactive Index | |
Solubility | |
Spectral Information | |
Mass Spectra | |
UV Spectra | |
IR Spectra | |
NMR Spectra | |
Chromatograms |
Mass Spectral Data
Liquiritin fragmentation
m/z 417 [M-H]- | -glucose |
m/z 255 |
|
Neoliquiritin fragmentation
m/z 417 [M-H]- | -glucose |
m/z 255 | → the same as liquiritin | ||||
retro Diels-Alder |
m/z 297 (1,3A-) |
|