| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:08:11 UTC |
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| Update Date | 2025-03-25 00:56:43 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02220293 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H13NO4S |
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| Molecular Mass | 255.0565 |
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| SMILES | COc1ccccc1C(=O)SCC(N)C(=O)O |
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| InChI Key | UKEAQUKUYNCMFH-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 | cysteine and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alkyl aryl ethersalpha amino acidsanisolesbenzenecarbothioic s-acidsbenzoyl derivativescarbodithioic acidscarbonyl compoundscarbothioic s-acidscarbothioic s-esterscarboxylic acidshydrocarbon derivativesmethoxybenzenesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsphenoxy compoundssulfenyl compoundsthiobenzoic acids and derivativesthioestersthiolactones |
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| Substituents | phenol ethermonocyclic benzene moietybenzenecarbothioic s-acidcarbonyl groupethercarboxylic acidbenzoylalkyl aryl etherorganosulfur compoundcarbothioic s-esterorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundthiolactonethiobenzoic acid or derivativesthiocarboxylic acid or derivativessulfenyl compoundthiocarboxylic acid estercarbodithioic acidbenzoic acid or derivativesmethoxybenzenecarbothioic s-acidaromatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundanisolecysteine or derivativeshydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundphenoxy compoundorganooxygen compound |
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