| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:58:04 UTC |
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| Update Date | 2025-03-21 18:05:33 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00057593 |
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| Frequency | 55.0 |
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| Structure | |
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| Chemical Formula | C10H13NO5S |
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| Molecular Mass | 259.0514 |
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| SMILES | COc1cc(OS(C)(=O)=O)ccc1NC(C)=O |
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| InChI Key | WESMHHWPWMVZDU-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 | acetamidesalkyl aryl ethersanisolescarbonyl compoundscarboxylic acids and derivativeshydrocarbon derivativesmethanesulfonatesmethoxybenzenesn-acetylarylaminesorganic oxidesorganopnictogen compoundsorganosulfonic acid estersphenoxy compoundssecondary carboxylic acid amidessulfonic acid esterssulfonyls |
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| Substituents | phenol etherorganosulfonic acid or derivativescarbonyl groupethern-acetylarylaminen-arylamidealkyl aryl etherorganosulfur compoundcarboxylic acid derivativesulfonic acid esterorganic oxideorganonitrogen compoundorganopnictogen compoundacetamideacetanilidecarboxamide groupmethoxybenzeneorganosulfonic acid esteraromatic homomonocyclic compoundmethanesulfonatesecondary carboxylic acid amidesulfonylorganic oxygen compoundorganic sulfonic acid or derivativesanisolehydrocarbon derivativeorganic nitrogen compoundphenoxy compoundorganooxygen compound |
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