| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:49:22 UTC |
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| Update Date | 2025-03-25 00:49:51 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02177064 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H15NO4S |
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| Molecular Mass | 269.0722 |
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| SMILES | CC(=O)NCCSC(O)(C(=O)O)c1ccccc1 |
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| InChI Key | ORLFJZMDOUNBIV-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 | benzene and substituted derivatives |
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| Direct Parent | benzene and substituted derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | acetamidesalpha hydroxy acids and derivativesaromatic alcoholscarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amidessulfenyl compounds |
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| Substituents | aromatic alcoholmonocyclic benzene moietycarbonyl groupcarboxylic acidsulfenyl compoundalpha-hydroxy acidhydroxy acidorganosulfur compoundcarboxamide groupcarboxylic acid derivativearomatic homomonocyclic compoundsecondary carboxylic acid amideorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundacetamideorganooxygen compound |
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