| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:43:56 UTC |
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| Update Date | 2025-03-25 00:47:52 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02164580 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C10H12O4S |
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| Molecular Mass | 228.0456 |
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| SMILES | CC(c1ccccc1)S(=O)(=O)CC(=O)O |
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| InChI Key | BZLPLVCTLMFWDN-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 | benzene and substituted derivatives |
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| Direct Parent | benzene and substituted derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | carbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidessulfones |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acidorganosulfur compoundcarboxylic acid derivativearomatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativessulfonylorganic oxygen compoundhydrocarbon derivativeorganooxygen compoundsulfone |
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