| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:38:35 UTC |
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| Update Date | 2025-03-25 00:45:58 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02152472 |
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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 | NC(CCCSc1ccc(C(=O)O)cc1)C(=O)O |
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| InChI Key | YILZLNZACAZTBU-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 | benzoic acids and derivatives |
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| Direct Parent | p-sulfanylbenzoic acids |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alkylarylthioethersalpha amino acidsbenzoic acidsbenzoyl derivativescarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativeshydrocarbon derivativesmonoalkylaminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssulfenyl compoundsthiophenol ethersthiophenols |
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| Substituents | carbonyl groupcarboxylic acidbenzoylalpha-amino acid or derivativesalkylarylthioetherorganosulfur compoundcarboxylic acid derivativearyl thioetherorganic oxidethiophenolthiophenol etherorganonitrogen compoundalpha-amino acidorganopnictogen compoundbenzoic acidsulfenyl compoundp-sulfanylbenzoic acidaromatic homomonocyclic compoundorganic oxygen compoundthioetherdicarboxylic acid or derivativeshydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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