Liquiritin
From Metabolomics.JP
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==Mass Spectral Data== | ==Mass Spectral Data== | ||
| + | {| | ||
| + | | ''m/z'' 417 [M-H]<sup>-</sup> || {{Overrightarrow|-glucose}} | ||
| + | | ''m/z'' 255 | ||
| + | | | ||
| + | {| | ||
| + | | {{Overrightarrow|retro Diels-Alder}} || ''m/z'' 135 (<sup>1,3</sup>A<sup>-</sup>) | ||
| + | | {{Overrightarrow|-CO2}} || ''m/z'' 91 | ||
| + | |- | ||
| + | | {{Overrightarrow|retro Diels-Alder}} || ''m/z'' 119 (<sup>1,3</sup>B<sup>-</sup>) | ||
| + | |- | ||
| + | | {{Overrightarrow|retrocyclization}} || ''m/z'' 167 | ||
| + | |} | ||
| + | |} | ||
Revision as of 17:12, 7 January 2011
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
| m/z 417 [M-H]- |  -glucose |
m/z 255 |
|
