| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:04:27 UTC |
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| Update Date | 2025-03-21 18:28:35 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00072840 |
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| Frequency | 41.0 |
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| Structure | |
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| Chemical Formula | C9H8O3S |
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| Molecular Mass | 196.0194 |
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| SMILES | CSC(=O)c1ccccc1C(=O)O |
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| InChI Key | ROVCBDLCVLDANZ-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 | benzenecarbothioic s-acids |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-carboxy-2-haloaromatic compoundsbenzoic acidsbenzoyl derivativescarbodithioic acidscarbothioic s-acidscarbothioic s-estershydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganooxygen compoundssulfenyl compoundsthiobenzoic acids and derivativesthioestersthiolactones |
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| Substituents | benzenecarbothioic s-acidcarboxylic acidbenzoylorganosulfur compoundcarboxylic acid derivativecarbothioic s-esterorganic oxide1-carboxy-2-haloaromatic compoundbenzoic acidthiolactonethiobenzoic acid or derivativesthiocarboxylic acid or derivativessulfenyl compoundthiocarboxylic acid estercarbodithioic acidcarbothioic s-acidaromatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativeorganooxygen compound |
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