| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:09:43 UTC |
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| Update Date | 2025-03-25 00:57:17 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02223838 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C10H11NO2S |
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| Molecular Mass | 209.051 |
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| SMILES | NC(CC(=O)c1ccccc1)C(=O)S |
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| InChI Key | BKOGCOVLHHJBAP-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic oxygen compounds |
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| Class | organooxygen compounds |
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| Subclass | carbonyl compounds |
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| Direct Parent | alkyl-phenylketones |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alkylthiolsalpha amino acidsaryl alkyl ketonesbenzoyl derivativesbutyrophenonescarbodithioic acidscarbothioic s-acidscarboxylic acids and derivativeshydrocarbon derivativesmonoalkylaminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsorganosulfur compoundsthiocarboxylic acids and derivativesthiolactones |
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| Substituents | monocyclic benzene moietyaryl alkyl ketonebenzoylalpha-amino acid or derivativesorganosulfur compoundcarboxylic acid derivativeorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundthiolactonethiocarboxylic acid or derivativescarbodithioic acidcarbothioic s-acidbutyrophenonearomatic homomonocyclic compoundhydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundalkylthiolalkyl-phenylketone |
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