| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:26:45 UTC |
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| Update Date | 2025-03-21 18:39:35 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00126444 |
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| Frequency | 20.2 |
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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 | NC(CCSc1ccccc1C(=O)O)C(=O)O |
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| InChI Key | FOOBPKBTHMGFHG-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 | o-sulfanylbenzoic acids |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-carboxy-2-haloaromatic compoundsalkylarylthioethersalpha amino acidsbenzoic acidsbenzoyl derivativescarbonyl compoundsdicarboxylic acids and derivativesfatty acylshydrocarbon derivativesmonoalkylaminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssulfenyl compoundsthia fatty acidsthiophenol ethersthiophenolsvinylogous thioesters |
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| Substituents | fatty acylcarbonyl groupcarboxylic acidbenzoylalpha-amino acid or derivativesalkylarylthioetherorganosulfur compoundcarboxylic acid derivativearyl thioetherorganic oxidethiophenolo-sulfanylbenzoic acidthiophenol etherorganonitrogen compoundalpha-amino acidorganopnictogen compound1-carboxy-2-haloaromatic compoundbenzoic acidvinylogous thioestersulfenyl compoundaromatic homomonocyclic compoundthia fatty acidorganic oxygen compoundthioetherdicarboxylic acid or derivativeshydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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