| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:01:34 UTC |
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| Update Date | 2025-03-21 18:06:54 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00065885 |
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| Frequency | 46.4 |
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| Structure | |
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| Chemical Formula | C12H13NO3S |
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| Molecular Mass | 251.0616 |
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| SMILES | O=C(O)C1CSCN1C(=O)Cc1ccccc1 |
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| InChI Key | CAOTWOMBOQGVAP-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | carboxylic acids and derivatives |
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| Subclass | amino acids, peptides, and analogues |
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| Direct Parent | alpha amino acids |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | azacyclic compoundscarbonyl compoundscarboxylic acidsdialkylthioethershydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsphenylacetamidestertiary carboxylic acid amidesthiazolidinesthiohemiaminal derivatives |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundorganic oxidetertiary carboxylic acid amideorganonitrogen compoundalpha-amino acidhemithioaminalorganopnictogen compoundphenylacetamideorganoheterocyclic compoundazacycledialkylthioethercarboxamide groupmonocarboxylic acid or derivativesorganic oxygen compoundthioetherhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compoundthiazolidine |
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