BMMCBZ3So047
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 | 458-36-6 |
| KEGG | C02666 |
| KNApSAcK | |
| CDX file | |
| MOL file | BMMCBZ3So047.mol |
| Coniferyl aldehyde | |
|---|---|
| |
| Structural Information | |
| Systematic Name | 3- (4-Hydroxy-3-methoxyphenyl) prop-2-enal |
| Common Name |
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| Symbol | |
| Formula | C10H10O3 |
| Exact Mass | 178.0629 |
| Average Mass | 178.1846 |
| SMILES | O=CC=Cc(c1)cc(OC)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
- this ⇔ S- [2- [3- [ [4- [ [ [(2R,3S,4R,5R) -5- (6-Aminopurin-9-yl) -4-hydroxy-3-phosphonooxyoxolan-2-yl] methoxy-hydroxyphosphoryl] oxy-hydroxyphosphoryl] oxy-2-hydroxy-3,3-dimethylbutanoyl] amino] propanoylamino] ethyl] (E) -3- (4-hydroxy-3-methoxyphenyl) prop-2-enethioic acid
- 4- (3-Hydroxy-1-propenyl) -2-methoxyphenol ⇔ this
