| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:13:35 UTC |
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| Update Date | 2025-03-21 18:33:11 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00094588 |
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| Frequency | 29.4 |
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| Structure | |
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| Chemical Formula | C8H9NO4S |
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| Molecular Mass | 215.0252 |
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| SMILES | CC(=O)Nc1ccc(O)cc1S(=O)O |
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| InChI Key | XTGVNZVXRGDWEL-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 | anilides |
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| Direct Parent | acetanilides |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsacetamidescarbonyl compoundscarboxylic acids and derivativeshydrocarbon derivativesn-acetylarylaminesorganic oxidesorganopnictogen compoundsorganosulfur compoundssecondary carboxylic acid amidessulfinic acids |
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| Substituents | carbonyl groupn-acetylarylaminesulfinic acid derivative1-hydroxy-2-unsubstituted benzenoidn-arylamideorganosulfur compoundcarboxylic acid derivativesulfinic acidorganic oxideorganonitrogen compoundorganopnictogen compoundacetamideacetanilidecarboxamide grouparomatic homomonocyclic compoundsecondary carboxylic acid amideorganic oxygen compoundphenolhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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