| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:47:03 UTC |
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| Update Date | 2025-03-21 18:01:11 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00031455 |
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| Frequency | 117.0 |
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| Structure | |
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| Chemical Formula | C9H11NO4S |
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| Molecular Mass | 229.0409 |
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| SMILES | CS(=O)(=O)Oc1ccc(CC(N)=O)cc1 |
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| InChI Key | MKNGIYAGZFDMGK-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 | phenylacetamides |
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| Direct Parent | phenylacetamides |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | carbonyl compoundscarboxylic acids and derivativeshydrocarbon derivativesmethanesulfonatesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsorganosulfonic acid estersphenoxy compoundsprimary carboxylic acid amidessulfonic acid esterssulfonyls |
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| Substituents | primary carboxylic acid amideorganosulfonic acid or derivativescarbonyl grouporganosulfur compoundcarboxamide groupcarboxylic acid derivativeorganosulfonic acid esteraromatic homomonocyclic compoundsulfonic acid estermethanesulfonateorganic oxidesulfonylorganic oxygen compoundorganic sulfonic acid or derivativesorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundphenoxy compoundphenylacetamideorganooxygen compound |
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