| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:08:17 UTC |
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| Update Date | 2025-03-25 00:56:46 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02220544 |
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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 | O=C(O)CSC(=O)c1cccc(O)c1 |
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| InChI Key | GYWIGYHYQFOKCK-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-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsbenzoyl derivativescarbodithioic acidscarbonyl compoundscarbothioic s-acidscarbothioic s-esterscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidessulfenyl compoundsthiobenzoic acids and derivativesthioestersthiolactones |
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| Substituents | benzenecarbothioic s-acidcarbonyl groupcarboxylic acidbenzoyl1-hydroxy-2-unsubstituted benzenoidorganosulfur compoundcarboxylic acid derivativecarbothioic s-esterorganic oxidethiolactonethiobenzoic acid or derivativesthiocarboxylic acid or derivativessulfenyl compoundthiocarboxylic acid estercarbodithioic acid1-hydroxy-4-unsubstituted benzenoidcarbothioic s-acidaromatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundphenolhydrocarbon derivativeorganooxygen compound |
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