| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:42:33 UTC |
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| Update Date | 2025-03-21 17:59:27 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00021039 |
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| Frequency | 190.9 |
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| Structure | |
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| Chemical Formula | C9H11NO5S |
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| Molecular Mass | 245.0358 |
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| SMILES | COS(=O)(=O)Oc1ccc(CC(N)=O)cc1 |
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| InChI Key | PNMWWUUSBBMBPG-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 | alkyl sulfatesarylsulfatescarbonyl compoundscarboxylic acids and derivativeshydrocarbon derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsphenoxy compoundsprimary carboxylic acid amidessulfuric acid diesters |
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| Substituents | primary carboxylic acid amidecarbonyl grouporganic sulfuric acid or derivativescarboxamide groupcarboxylic acid derivativearomatic homomonocyclic compoundorganic oxideorganic oxygen compoundsulfuric acid diesteralkyl sulfateorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativearylsulfateorganic nitrogen compoundphenoxy compoundsulfuric acid esterphenylacetamideorganooxygen compound |
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