| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:30:33 UTC |
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| Update Date | 2025-03-21 18:41:37 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00135295 |
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| Frequency | 18.6 |
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| Structure | |
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| Chemical Formula | C8H9NO3S |
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| Molecular Mass | 199.0303 |
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| SMILES | CC(=O)Nc1scc(C)c1C(=O)O |
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| InChI Key | YWCFEQPZXHQSSS-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic nitrogen compounds |
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| Class | organonitrogen compounds |
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| Subclass | n-arylamides |
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| Direct Parent | n-acetylarylamines |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 1-carboxy-2-haloaromatic compoundsacetamidescarbonyl compoundsheteroaromatic compoundshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundssecondary carboxylic acid amidesthiophene carboxylic acidsvinylogous amides |
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| Substituents | carbonyl groupcarboxylic acidn-acetylarylaminearomatic heteromonocyclic compoundthiophene carboxylic acidthiophenecarboxylic acid derivativeorganic oxideorganopnictogen compound1-carboxy-2-haloaromatic compoundorganoheterocyclic compoundacetamidevinylogous amideheteroaromatic compoundcarboxamide groupthiophene carboxylic acid or derivativessecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativeorganooxygen compound |
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