| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:46:59 UTC |
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| Update Date | 2025-03-21 18:01:10 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00031294 |
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| Frequency | 117.8 |
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| Structure | |
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| Chemical Formula | C10H10O4S |
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| Molecular Mass | 226.03 |
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| SMILES | C=CCS(=O)(=O)c1ccc(C(=O)O)cc1 |
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| InChI Key | MQNXTQAVTVCLOG-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 | allyl sulfur compoundsbenzenesulfonyl compoundsbenzoyl derivativescarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganooxygen compoundssulfones |
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| Substituents | carboxylic acidallyl sulfur compoundbenzoylorganosulfur compoundcarboxylic acid derivativearomatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativessulfonylorganic oxygen compoundhydrocarbon derivativebenzoic acidorganooxygen compoundsulfonebenzenesulfonyl group |
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