| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:27:58 UTC |
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| Update Date | 2025-03-21 18:40:17 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00129369 |
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| Frequency | 19.7 |
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| Structure | |
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| Chemical Formula | C8H7BrO4 |
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| Molecular Mass | 245.9528 |
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| SMILES | COc1cc(C(=O)O)cc(Br)c1O |
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| InChI Key | FGOVBTMEPVEFCJ-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 | m-methoxybenzoic acids and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 3-halobenzoic acidsalkyl aryl ethersanisolesaryl bromidesbenzoic acidsbenzoyl derivativesbromobenzenescarboxylic acidshalobenzoic acidshalophenolshydrocarbon derivativeshydroxybenzoic acid derivativesmethoxybenzenesmethoxyphenolsmonocarboxylic acids and derivativeso-bromophenolsorganic oxidesorganobromidesphenoxy compounds |
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| Substituents | phenol etherethercarboxylic acid3-halobenzoic acid or derivativesbenzoylmethoxyphenolalkyl aryl ethercarboxylic acid derivativeorganohalogen compoundorganic oxide3-halobenzoic acidbenzoic acidm-methoxybenzoic acid or derivatives2-bromophenolhalobenzoic acidbromobenzenehalobenzoic acid or derivativesmethoxybenzenearyl halidehydroxybenzoic acidaromatic homomonocyclic compound2-halophenolmonocarboxylic acid or derivativesorganic oxygen compoundanisoleorganobromidephenolhydrocarbon derivativehalobenzenephenoxy compoundaryl bromideorganooxygen compound |
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