| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:23:06 UTC |
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| Update Date | 2025-03-21 18:37:54 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00117900 |
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| Frequency | 22.2 |
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| Structure | |
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| Chemical Formula | C7H5BrO4 |
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| Molecular Mass | 231.9371 |
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| SMILES | O=C(O)c1cc(O)c(O)c(Br)c1 |
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| InChI Key | XCTQCHNCFZFEGN-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | benzenoids |
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| Class | benzene and substituted derivatives |
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| Subclass | benzoic acids and derivatives |
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| Direct Parent | hydroxybenzoic acid derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoids3-halobenzoic acidsaryl bromidesbenzoic acidsbenzoyl derivativesbromobenzenescarboxylic acidshalobenzoic acidshalophenolshydrocarbon derivativesm-bromophenolsmonocarboxylic acids and derivativeso-bromophenolsorganic oxidesorganobromidesorganooxygen compounds |
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| Substituents | carboxylic acid3-halobenzoic acid or derivativesbenzoyl1-hydroxy-2-unsubstituted benzenoidcarboxylic acid derivativeorganohalogen compoundorganic oxide3-halobenzoic acid3-bromophenolbenzoic acid2-bromophenol3-halophenolhalobenzoic acidbromobenzenehalobenzoic acid or derivatives1-hydroxy-4-unsubstituted benzenoidaryl halidehydroxybenzoic acidaromatic homomonocyclic compound2-halophenolmonocarboxylic acid or derivativesorganic oxygen compoundorganobromidephenolhydrocarbon derivativehalobenzenearyl bromideorganooxygen compound |
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