BMMCBZ2Ok004
From Metabolomics.JP
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{{Metabolite | {{Metabolite | ||
| − | |SysName= | + | |SysName=1,2-Benzenedicarboxylic acid |
| − | |Common Name=&&Phthalate&&Phthalic | + | |Common Name=&&Phthalate&&Phthalic acid&& |
|CAS=88-99-3 | |CAS=88-99-3 | ||
|KEGG=C01606 | |KEGG=C01606 | ||
}} | }} | ||
Revision as of 15:06, 5 July 2010
| 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 | 88-99-3 |
| KEGG | C01606 |
| KNApSAcK | |
| CDX file | |
| MOL file | BMMCBZ2Ok004.mol |
| Phthalate | |
|---|---|
| |
| Structural Information | |
| Systematic Name | 1,2-Benzenedicarboxylic acid |
| Common Name |
|
| Symbol | |
| Formula | C8H6O4 |
| Exact Mass | 166.0266 |
| Average Mass | 166.1308 |
| SMILES | OC(=O)c(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 | |
