BMMCBZ1Sg020
From Metabolomics.JP
| 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 : BMMCBZ1S 0-1 substitution (53 pages)
| IDs and Links | |
|---|---|
| LipidBank | [1] |
| LipidMaps | [2] |
| CAS | 851180-98-8 |
| KEGG | C04000 |
| KNApSAcK | |
| CDX file | |
| MOL file | BMMCBZ1Sg020.mol |
| Benzyl 2-methyl-3-oxobutanoate | |
|---|---|
| |
| Structural Information | |
| Systematic Name | Benzyl 2-methyl-3-oxo-butanoic acid |
| Common Name |
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| Symbol | |
| Formula | C12H14O3 |
| Exact Mass | 206.0942 |
| Average Mass | 206.2377 |
| SMILES | CC(=O)C(C)C(=O)OCc(c1)cccc1 |
| Physicochemical Information | |
| Melting Point | |
| Boiling Point | |
| Density | |
| Optical Rotation | |
| Reflactive Index | |
| Solubility | |
| Spectral Information | |
| Mass Spectra | |
| UV Spectra | |
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| NMR Spectra | |
| Chromatograms | |
Related Atomic Mappings, Enzymes, and Pathways
