Record Information |
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HMDB Status | Not Available |
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Creation Date | 2024-02-21 00:19:55 UTC |
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Update Date | 2025-03-21 18:36:20 UTC |
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HMDB ID | Not Available |
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Metabolite Identification |
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DeepMet ID | DMID00110161 |
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Frequency | 24.2 |
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Structure | |
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Chemical Formula | C9H11NO4S |
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Molecular Mass | 229.0409 |
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SMILES | NCCS(=O)(=O)c1ccc(C(=O)O)cc1 |
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InChI Key | PGHTZSRQLDUSMX-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 | benzoic acids |
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Geometric Descriptor | aromatic homomonocyclic compounds |
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Alternative Parents | benzenesulfonyl compoundsbenzoyl derivativescarboxylic acidshydrocarbon derivativesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundssulfones |
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Substituents | carboxylic acidbenzoylorganosulfur compoundcarboxylic acid derivativearomatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativessulfonylorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundbenzoic acidorganooxygen compoundsulfonebenzenesulfonyl group |
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