BMMCBZ2OS601
From Metabolomics.JP
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| 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 | 138-52-3 |
| KEGG | C01451 |
| KNApSAcK | |
| CDX file | |
| MOL file | BMMCBZ2OS601.mol |
| Salicoside | |
|---|---|
| |
| Structural Information | |
| Systematic Name | (2R,3S,4S,5R,6S) -2- (Hydroxymethyl) -6- [2- (hydroxymethyl) phenoxy] oxane-3,4,5-triol |
| Common Name |
|
| Symbol | |
| Formula | C13H18O7 |
| Exact Mass | 286.1052 |
| Average Mass | 286.2778 |
| SMILES | OCc(c2)c(ccc2)O[C@H](O1)[C@H](O)[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
