Ligustilide
From Metabolomics.JP
(Difference between revisions)
(New page: {{Hierarchy|{{PAGENAME}}}} {{Metabolite |SysName=3-Butylidene-4,5-dihydro-, 1(3H)-isobenzofuranone |Common Name=&&Ligustilide&&2-(1-Hydroxy-1-pentenyl)-, 1,5-cyclohexadiene-1-carboxylic ...) |
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{{Metabolite | {{Metabolite | ||
| − | |SysName=3-Butylidene-4,5-dihydro- | + | |SysName=3-Butylidene-4,5-dihydro-1(3H)-isobenzofuranone |
| − | |Common Name=&&Ligustilide&&2-(1-Hydroxy-1-pentenyl)- | + | |Common Name=&&Ligustilide&&2-(1-Hydroxy-1-pentenyl)-1,5-cyclohexadiene-1-carboxylic acid gamma-lactone&&3-Butylidene-4,5-dihydro-phthalide&&3-Butylidene-4,5-dihydrophthalide&& |
|CAS=4431-01-0 | |CAS=4431-01-0 | ||
|KNApSAcK= | |KNApSAcK= | ||
}} | }} | ||
Latest revision as of 12:40, 19 December 2009
Upper classes
| IDs and Links | |
|---|---|
| LipidBank | [1] |
| LipidMaps | [2] |
| CAS | 4431-01-0 |
| KEGG | {{{KEGG}}} |
| KNApSAcK | |
| CDX file | |
| MOL file | Ligustilide.mol |
| Ligustilide | |
|---|---|
| |
| Structural Information | |
| Systematic Name | 3-Butylidene-4,5-dihydro-1(3H)-isobenzofuranone |
| Common Name |
|
| Symbol | |
| Formula | C12H14O2 |
| Exact Mass | 190.09937969199999 |
| Average Mass | 190.23836 |
| SMILES | CCCC=c(o1)c(C2)c(C=CC2)c(=O)1 |
| Physicochemical Information | |
| Melting Point | |
| Boiling Point | |
| Density | |
| Optical Rotation | |
| Reflactive Index | |
| Solubility | |
| Spectral Information | |
| Mass Spectra | |
| UV Spectra | |
| IR Spectra | |
| NMR Spectra | |
| Chromatograms | |
