BMMCAS--k014
From Metabolomics.JP
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|SysName=Chlorogenic acid | |SysName=Chlorogenic acid | ||
Revision as of 09:00, 1 October 2008
| 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 : BMMCAS assembled 複合環 (15 pages)
| IDs and Links | |
|---|---|
| LipidBank | [1] |
| LipidMaps | [2] |
| CAS | 327-97-9 |
| KEGG | C00852 |
| KNApSAcK | |
| CDX file | |
| MOL file | BMMCAS--k014.mol |
| Chlorogenate | |
|---|---|
| |
| Structural Information | |
| Systematic Name | Chlorogenic acid |
| Common Name |
|
| Symbol | |
| Formula | C16H18O9 |
| Exact Mass | 354.095 |
| Average Mass | 354.3087 |
| SMILES | O=C(C=Cc(c2)cc(O)c(O)c2)O[C@H](C1)[C@H](O)[C@H](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
