| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:17:10 UTC |
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| Update Date | 2025-03-25 00:59:59 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02240504 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H13NO4S |
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| Molecular Mass | 267.0565 |
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| SMILES | NC(CSC(=O)CC(=O)c1ccccc1)C(=O)O |
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| InChI Key | AJBMWGQNLWXUHQ-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 | alpha amino acidsaryl alkyl ketonesbenzoyl derivativescarbothioic s-esterscarboxylic acidscysteine and derivativeshydrocarbon derivativesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssulfenyl compoundsthioestersthiolactones |
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| Substituents | monocyclic benzene moietycarboxylic acidaryl alkyl ketonebenzoylalpha-amino acid or derivativesorganosulfur compoundcarboxylic acid derivativecarbothioic s-esterorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundthiolactonethiocarboxylic acid or derivativessulfenyl compoundthiocarboxylic acid esteraromatic homomonocyclic compoundmonocarboxylic acid or derivativescysteine or derivativeshydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundalkyl-phenylketone |
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