| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:50:13 UTC |
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| Update Date | 2025-03-25 00:50:08 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02179003 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H17NO3S |
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| Molecular Mass | 255.0929 |
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| SMILES | CSCC(O)COc1ccc(CC(N)=O)cc1 |
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| InChI Key | JWUQQDOZZBEKTB-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 aryl etherscarbonyl compoundscarboxylic acids and derivativesdialkylthioethershydrocarbon derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsphenol ethersphenoxy compoundsprimary carboxylic acid amidessecondary alcoholssulfenyl compounds |
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| Substituents | primary carboxylic acid amidephenol ethercarbonyl groupetheralkyl aryl etherorganosulfur compoundcarboxylic acid derivativeorganic oxideorganonitrogen compoundorganopnictogen compoundphenylacetamidealcoholsulfenyl compounddialkylthioethercarboxamide grouparomatic homomonocyclic compoundorganic oxygen compoundthioethersecondary alcoholhydrocarbon derivativeorganic nitrogen compoundphenoxy compoundorganooxygen compound |
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