BMMCBZ3Sk020
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 : BMMCBZ3S with 3 substitutions (61 pages)
| IDs and Links | |
|---|---|
| LipidBank | [1] |
| LipidMaps | [2] |
| CAS | 102-32-9 |
| KEGG | C01161 |
| KNApSAcK | |
| CDX file | |
| MOL file | BMMCBZ3Sk020.mol |
| 3,4-Dihydroxyphenylacetate | |
|---|---|
| |
| Structural Information | |
| Systematic Name | 3,4-Dihydroxy-phenyl-acetic acid |
| Common Name |
|
| Symbol | |
| Formula | C8H8O4 |
| Exact Mass | 168.0422 |
| Average Mass | 168.1467 |
| SMILES | OC(=O)Cc(c1)cc(O)c(O)c1 |
| 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
