| Record Information |
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| HMDB Status | detected |
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| Creation Date | 2024-02-21 00:06:34 UTC |
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| Update Date | 2025-03-21 18:29:32 UTC |
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| HMDB ID | HMDB0246485 |
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| Metabolite Identification |
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| DeepMet ID | DMID00077940 |
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| Name | 4-Mercaptobenzoic acid |
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| Frequency | 37.6 |
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| Structure | |
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| Chemical Formula | C7H6O2S |
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| Molecular Mass | 154.0088 |
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| SMILES | O=C(O)c1ccc(S)cc1 |
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| InChI Key | LMJXSOYPAOSIPZ-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 | p-sulfanylbenzoic acids |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | benzoic acidsbenzoyl derivativescarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganooxygen compoundsthiolsthiophenols |
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| Substituents | carboxylic acidbenzoylarylthiolorganosulfur compoundcarboxylic acid derivativep-sulfanylbenzoic acidaromatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativesthiophenolorganic oxygen compoundhydrocarbon derivativebenzoic acidorganooxygen compound |
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