| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:44:28 UTC |
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| Update Date | 2025-03-21 18:00:08 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00025398 |
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| Frequency | 152.1 |
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| Structure | |
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| Chemical Formula | C13H21NO3S |
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| Molecular Mass | 271.1242 |
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| SMILES | CCCN(CCC)S(=O)(=O)c1ccc(OC)cc1 |
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| InChI Key | DVCUIDDJBLKLQW-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 compounds |
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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 compoundorganooxygen compound |
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