| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:14:48 UTC |
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| Update Date | 2025-03-21 18:33:47 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00097567 |
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| Frequency | 28.2 |
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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 | O=C(O)CSc1ccc(C(=O)O)cc1 |
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| InChI Key | ZKVIZDHFJPKQHV-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 | p-sulfanylbenzoic acids |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alkylarylthioethersbenzoic acidsbenzoyl derivativescarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativeshydrocarbon derivativesorganic oxidessulfenyl compoundsthiophenol ethersthiophenols |
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| Substituents | carbonyl groupcarboxylic acidsulfenyl compoundbenzoylalkylarylthioetherorganosulfur compoundcarboxylic acid derivativep-sulfanylbenzoic acidaryl thioetheraromatic homomonocyclic compoundorganic oxidethiophenolorganic oxygen compoundthioetherthiophenol etherdicarboxylic acid or derivativeshydrocarbon derivativebenzoic acidorganooxygen compound |
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