| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:06:10 UTC |
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| Update Date | 2025-03-21 18:29:21 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00076963 |
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| Frequency | 38.2 |
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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 | O=C(O)CSc1ccc(O)cc1 |
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| InChI Key | CZIOGAKNVFXOLU-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 | thiophenols |
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| Subclass | thiophenols |
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| Direct Parent | thiophenols |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsalkylarylthioethersbenzene and substituted derivativescarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidessulfenyl compoundsthiophenol ethers |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acidsulfenyl compound1-hydroxy-2-unsubstituted benzenoidalkylarylthioetherorganosulfur compoundcarboxylic acid derivativearyl thioetheraromatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativesthiophenolorganic oxygen compoundthioetherthiophenol etherphenolhydrocarbon derivativeorganooxygen compound |
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