| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:17:31 UTC |
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| Update Date | 2025-03-25 01:00:08 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02241294 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H16N2O5S |
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| Molecular Mass | 300.078 |
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| SMILES | CC(=O)NCCS(=O)(=O)Oc1ccccc1NC(C)=O |
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| InChI Key | VASDJRQMVGNYAR-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 | acetamidescarbonyl compoundscarboxylic acids and derivativeshydrocarbon derivativesn-acetylarylaminesorganic oxidesorganopnictogen compoundsorganosulfonic acid estersphenoxy compoundssecondary carboxylic acid amidessulfonic acid esterssulfonyls |
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| Substituents | organosulfonic acid or derivativescarbonyl groupn-acetylarylaminen-arylamideorganosulfur compoundcarboxylic acid derivativesulfonic acid esterorganic oxideorganonitrogen compoundorganopnictogen compoundacetamideacetanilidecarboxamide grouporganosulfonic acid esteraromatic homomonocyclic compoundsecondary carboxylic acid amidesulfonylorganic oxygen compoundorganic sulfonic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundphenoxy compoundorganooxygen compound |
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