| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:43:27 UTC |
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| Update Date | 2025-03-21 17:59:45 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00023022 |
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| Frequency | 171.5 |
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| Structure | |
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| Chemical Formula | C7H6O4S |
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| Molecular Mass | 185.9987 |
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| SMILES | O=C(O)c1cccc(S(=O)O)c1 |
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| InChI Key | UZEGQEQFRRYLRK-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-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 compoundsorganosulfur compoundssulfinic acids |
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| Substituents | m-sulfanylbenzoic acidcarboxylic acidsulfinic acid derivativebenzoylorganosulfur compoundcarboxylic acid derivativesulfinic acidaromatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativebenzoic acidorganooxygen compound |
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