| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:37:22 UTC |
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| Update Date | 2025-03-25 00:45:31 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02149634 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C10H12O2S |
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| Molecular Mass | 196.0558 |
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| SMILES | CCCSc1cccc(C(=O)O)c1 |
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| InChI Key | NUFZVXSIPGKAGB-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 | alkylarylthioethersbenzoic acidsbenzoyl derivativescarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganooxygen compoundssulfenyl compoundsthiophenol ethersthiophenols |
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| Substituents | m-sulfanylbenzoic acidcarboxylic acidsulfenyl compoundbenzoylalkylarylthioetherorganosulfur compoundcarboxylic acid derivativearyl thioetheraromatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativesthiophenolorganic oxygen compoundthioetherthiophenol etherhydrocarbon derivativebenzoic acidorganooxygen compound |
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