| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:38:46 UTC |
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| Update Date | 2025-03-25 00:46:03 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02152916 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H11NO2S |
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| Molecular Mass | 197.051 |
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| SMILES | NC(=O)CCSc1ccccc1O |
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| InChI Key | AVYJSOPEZMFJHK-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 benzenoids1-hydroxy-4-unsubstituted benzenoidsalkylarylthioethersbenzene and substituted derivativescarbonyl compoundscarboxylic acids and derivativeshydrocarbon derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsprimary carboxylic acid amidessulfenyl compoundsthiophenol ethers |
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| Substituents | primary carboxylic acid amidemonocyclic benzene moietycarbonyl group1-hydroxy-2-unsubstituted benzenoidalkylarylthioetherorganosulfur compoundcarboxylic acid derivativearyl thioetherorganic oxidethiophenolthiophenol etherorganonitrogen compoundorganopnictogen compoundsulfenyl compound1-hydroxy-4-unsubstituted benzenoidcarboxamide grouparomatic homomonocyclic compoundorganic oxygen compoundthioetherphenolhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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