| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:45:59 UTC |
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| Update Date | 2025-03-25 00:48:37 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02169256 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H19NO3S |
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| Molecular Mass | 257.1086 |
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| SMILES | CCN(CC)S(=O)(=O)c1ccc(OC)cc1C |
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| InChI Key | AWONQFTWUSJCGB-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 | benzenesulfonamides |
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| Direct Parent | benzenesulfonamides |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alkyl aryl ethersaminosulfonyl compoundsanisolesbenzenesulfonyl compoundshydrocarbon derivativesmethoxybenzenesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsorganosulfonamidesphenoxy compoundstoluenes |
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| Substituents | phenol etherorganosulfonic acid or derivativesetheralkyl aryl etherorganosulfur compoundorganosulfonic acid amideorganic oxideorganonitrogen compoundorganopnictogen compoundbenzenesulfonyl groupbenzenesulfonamideaminosulfonyl compoundmethoxybenzenearomatic homomonocyclic compoundsulfonylorganic oxygen compoundorganic sulfonic acid or derivativesanisolehydrocarbon derivativeorganic nitrogen compoundphenoxy compoundtolueneorganooxygen compound |
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