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| IUPAC Name: | 2-bromo-5-methoxy-4-phenylmethoxybenzoic acid |
| Description: | 2-Bromo-5-methoxy-4-(phenylmethoxy)benzoic Acid is an intermediate for the synthesis of 8-O-Methyl-urolithin C (M338210), which is a derivative of Urolithin C and is an intestinal microbial metabolite of ellagitannins. |
| Molecular Weight: | 337.17 |
| Molecular Formula: | C15H13BrO4 |
| Canonical SMILES: | COC1=C(C=C(C(=C1)C(=O)O)Br)OCC2=CC=CC=C2 |
| InChI: | InChI=1S/C15H13BrO4/c1-19-13-7-11(15(17)18)12(16)8-14(13)20-9-10-5-3-2-4-6-10/h2-8H,9H2,1H3,(H,17,18) |
| InChI Key: | VWPRCDKRKCGEAK-UHFFFAOYSA-N |
| Solubility: | Ethyl Acetate |
| Storage: | 20°C |
| References: | Ito, H., et al. J. Agr. Food Chem., 56, 393 (2008). |
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