| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:30:04 UTC |
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| Update Date | 2025-03-21 18:41:25 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00134195 |
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| Frequency | 18.8 |
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| Structure | |
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| Chemical Formula | C15H17NO6S |
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| Molecular Mass | 339.0777 |
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| SMILES | COc1ccc(C2SCN(CC(=O)O)C(=O)C2OC(C)=O)cc1 |
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| InChI Key | SMWWHNFDWZSCBQ-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 | alkyl aryl ethersanisolesazacyclic compoundscarbonyl compoundscarboxylic acid esterscarboxylic acidsdialkylthioethersdicarboxylic acids and derivativeshydrocarbon derivativeslactamsmethoxybenzenesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsphenoxy compoundstertiary carboxylic acid amidesthiazinanesthiohemiaminal derivatives |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupetherlactamcarboxylic acidaromatic heteromonocyclic compoundalkyl aryl etherorganic oxidetertiary carboxylic acid amideorganonitrogen compoundalpha-amino acidhemithioaminalorganopnictogen compoundorganoheterocyclic compoundazacycledialkylthioethercarboxamide groupmethoxybenzeneorganic oxygen compoundthioetheranisolecarboxylic acid esterdicarboxylic acid or derivativeshydrocarbon derivativebenzenoidorganic nitrogen compoundphenoxy compound1,3-thiazinaneorganooxygen compound |
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