BMMCBZ2Pk054
From Metabolomics.JP
(Redirected from INCHI:NMHMNPHRMNGLLB-UHFFFAOYSA-N)
| 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 | 501-97-3 |
| KEGG | C01744 |
| KNApSAcK | |
| CDX file | |
| MOL file | BMMCBZ2Pk054.mol |
| Phloretate | |
|---|---|
| |
| Structural Information | |
| Systematic Name | Phloretic acid |
| Common Name |
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| Symbol | |
| Formula | C9H10O3 |
| Exact Mass | 166.0629 |
| Average Mass | 166.1739 |
| SMILES | OC(=O)CCc(c1)ccc(O)c1 |
| Physicochemical Information | |
| Melting Point | |
| Boiling Point | |
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| Reflactive Index | |
| Solubility | |
| Spectral Information | |
| Mass Spectra | |
| UV Spectra | |
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| NMR Spectra | |
| Chromatograms | |
