BMMCBZ2Ok017
From Metabolomics.JP
(Difference between revisions)
| Line 3: | Line 3: | ||
{{Metabolite | {{Metabolite | ||
|SysName=2-Methyl-benzoic acid | |SysName=2-Methyl-benzoic acid | ||
| − | |Common Name=&&o-Toluate&&o-Methylbenzoate&&o-Toluic Acid&& | + | |Common Name=&&o-Toluate&&o-Methylbenzoate&&o-Toluic Acid&&2-Methyl-benzoic acid&& |
|CAS=118-90-1 | |CAS=118-90-1 | ||
|KEGG=C07215 | |KEGG=C07215 | ||
}} | }} | ||
Revision as of 23:35, 3 February 2009
| Basic Metabolism Top (代謝トップ) |
Molecule Index (化合物索引) |
EC classes ( EC分類) |
Input New Data (新規入力) |
Upper classes : BM Basic Metabolites : BMMC mono- or assembled cycle 単、複合環 : BMMCBZ benzene ring ベンゼン環 : BMMCBZ2O 2 substitutions (ortho) (38 pages)
| IDs and Links | |
|---|---|
| LipidBank | [1] |
| LipidMaps | [2] |
| CAS | 118-90-1 |
| KEGG | C07215 |
| KNApSAcK | |
| CDX file | |
| MOL file | BMMCBZ2Ok017.mol |
| o-Toluate | |
|---|---|
| |
| Structural Information | |
| Systematic Name | 2-Methyl-benzoic acid |
| Common Name |
|
| Symbol | |
| Formula | C8H8O2 |
| Exact Mass | 136.0524 |
| Average Mass | 136.1479 |
| SMILES | Cc(c1)c(ccc1)C(O)=O |
| Physicochemical Information | |
| Melting Point | |
| Boiling Point | |
| Density | |
| Optical Rotation | |
| Reflactive Index | |
| Solubility | |
| Spectral Information | |
| Mass Spectra | |
| UV Spectra | |
| IR Spectra | |
| NMR Spectra | |
| Chromatograms | |
Related Atomic Mappings, Enzymes, and Pathways
