| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:42:26 UTC |
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| Update Date | 2025-03-25 00:47:21 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02161161 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H16N2O4S |
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| Molecular Mass | 296.0831 |
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| SMILES | NC(Cc1ccc(O)cc1)C(=O)N1CSC(C(=O)O)C1 |
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| InChI Key | ZTANTELYMSCNJK-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 acid amides |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsalpha amino acidsamphetamines and derivativesazacyclic compoundsbenzene and substituted derivativescarbonyl compoundscarboxylic acidsdialkylthioethershydrocarbon derivativesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundstertiary carboxylic acid amidesthiazolidinesthiohemiaminal derivatives |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acidaromatic heteromonocyclic compound1-hydroxy-2-unsubstituted benzenoidorganic oxidetertiary carboxylic acid amideorganonitrogen compoundalpha-amino acidhemithioaminalorganopnictogen compoundorganoheterocyclic compoundamphetamine or derivativesalpha-amino acid amideazacycledialkylthioethercarboxamide groupmonocarboxylic acid or derivativesorganic oxygen compoundthioetherphenolhydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundorganooxygen compoundthiazolidine |
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