| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:06:58 UTC |
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| Update Date | 2025-03-21 18:29:41 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00078932 |
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| Frequency | 37.0 |
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| Structure | |
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| Chemical Formula | C8H8O3S |
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| Molecular Mass | 184.0194 |
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| SMILES | CS(=O)c1cccc(C(=O)O)c1 |
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| InChI Key | VTXKMQSHSSNEJF-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 compoundsphenyl sulfoxidessulfinyl compoundssulfoxides |
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| Substituents | m-sulfanylbenzoic acidcarboxylic acidbenzoylorganosulfur compoundcarboxylic acid derivativearomatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativesphenyl sulfoxideorganic oxygen compoundsulfinyl compoundsulfoxidehydrocarbon derivativebenzoic acidorganooxygen compound |
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