BMMCBZ2PS661
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 : BMMCBZ2P with 2 substitutions (para) (64 pages)
| IDs and Links | |
|---|---|
| LipidBank | [1] |
| LipidMaps | [2] |
| CAS | 499-20-7 |
| KEGG | C05143 |
| KNApSAcK | |
| CDX file | |
| MOL file | BMMCBZ2PS661.mol |
| (S) -4-Hydroxy-mandelo-nitrile D-glucoside | |
|---|---|
| |
| Structural Information | |
| Systematic Name | (2S) -2- (4-Hydroxyphenyl) -2- [(2R,3R,4S,5S,6R) -3,4,5-trihydroxy-6- (hydroxymethyl) oxan-2-yl] oxyacetonitrile |
| Common Name |
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| Symbol | |
| Formula | C14H17NO7 |
| Exact Mass | 311.100501903 |
| Average Mass | 311.28732 |
| SMILES | N#C[C@@H](OC(O2)[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO |
| Physicochemical Information | |
| Melting Point | |
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| Optical Rotation | |
| Reflactive Index | |
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| Spectral Information | |
| Mass Spectra | |
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| NMR Spectra | |
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Related Atomic Mappings, Enzymes, and Pathways
