BMMCBZ3Sk044
From Metabolomics.JP
(Difference between revisions)
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{{Metabolite | {{Metabolite | ||
|SysName=trans-3- (3,4-Dihydroxyphenyl) prop-2-enoic acid | |SysName=trans-3- (3,4-Dihydroxyphenyl) prop-2-enoic acid | ||
| − | |Common Name=&&3,4-Dihydroxy-trans-cinnamate&&trans-Caffeate | + | |Common Name=&&Caffeic acid&&3,4-Dihydroxy-trans-cinnamate&&trans-Caffeate&& |
|CAS=501-16-6;71693-97-5 | |CAS=501-16-6;71693-97-5 | ||
|KEGG=C01197 | |KEGG=C01197 | ||
}} | }} | ||
Latest revision as of 14:58, 28 September 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 : BMMCBZ3S with 3 substitutions (61 pages)
| IDs and Links | |
|---|---|
| LipidBank | [1] |
| LipidMaps | [2] |
| CAS | 501-16-6;71693-97-5 |
| KEGG | C01197 |
| KNApSAcK | |
| CDX file | |
| MOL file | BMMCBZ3Sk044.mol |
| Caffeic acid | |
|---|---|
| |
| Structural Information | |
| Systematic Name | trans-3- (3,4-Dihydroxyphenyl) prop-2-enoic acid |
| Common Name |
|
| Symbol | |
| Formula | C9H8O4 |
| Exact Mass | 180.0422 |
| Average Mass | 180.1574 |
| SMILES | OC(=O)C=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
