| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:30:29 UTC |
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| Update Date | 2025-03-21 18:41:36 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00135160 |
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| Frequency | 18.6 |
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| Structure | |
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| Chemical Formula | C14H21NO4S |
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| Molecular Mass | 299.1191 |
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| SMILES | CCCN(CCC)S(=O)(=O)c1ccc(OC(C)=O)cc1 |
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| InChI Key | BAXSPOLAKVBZOG-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 | aminosulfonyl compoundsbenzenesulfonyl compoundscarbonyl compoundscarboxylic acid estershydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsorganosulfonamidesphenol estersphenoxy compounds |
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| Substituents | organosulfonic acid or derivativescarbonyl grouporganosulfur compoundcarboxylic acid derivativeorganosulfonic acid amideorganic oxideorganonitrogen compoundorganopnictogen compoundbenzenesulfonyl groupbenzenesulfonamideaminosulfonyl compoundaromatic homomonocyclic compoundmonocarboxylic acid or derivativessulfonylorganic oxygen compoundorganic sulfonic acid or derivativescarboxylic acid esterphenol esterhydrocarbon derivativeorganic nitrogen compoundphenoxy compoundorganooxygen compound |
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