| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:17:14 UTC |
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| Update Date | 2025-03-25 01:00:00 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02240626 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H17NO3S |
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| Molecular Mass | 267.0929 |
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| SMILES | CC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1 |
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| InChI Key | UWDADDBRXJNAMS-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic oxygen compounds |
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| Class | organooxygen compounds |
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| Subclass | carbonyl compounds |
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| Direct Parent | alkyl-phenylketones |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | acetophenonesaryl alkyl ketonesazacyclic compoundsbenzenesulfonamidesbenzenesulfonyl compoundsbenzoyl derivativeshydrocarbon derivativesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundsorganosulfonamidespiperidinessulfonyls |
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| Substituents | organosulfonic acid or derivativesmonocyclic benzene moietyaryl alkyl ketonearomatic heteromonocyclic compoundbenzoylorganosulfur compoundorganosulfonic acid amideorganic oxideorganonitrogen compoundacetophenoneorganopnictogen compoundpiperidineorganoheterocyclic compoundbenzenesulfonyl groupbenzenesulfonamideazacyclesulfonylorganic sulfonic acid or derivativeshydrocarbon derivativebenzenoidorganic nitrogen compoundalkyl-phenylketone |
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