| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:38:40 UTC |
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| Update Date | 2025-03-25 00:46:01 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02152699 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H8O4S |
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| Molecular Mass | 212.0143 |
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| SMILES | C=CS(=O)(=O)c1cccc(C(=O)O)c1 |
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| InChI Key | RGDFMRSMKYDWTR-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 derivativesmonocarboxylic acids and derivativesorganic oxidesorganooxygen compoundssulfones |
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| Substituents | carboxylic acidbenzoylorganosulfur compoundcarboxylic acid derivativearomatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativessulfonylorganic oxygen compoundhydrocarbon derivativebenzoic acidorganooxygen compoundsulfonebenzenesulfonyl group |
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