| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:47:48 UTC |
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| Update Date | 2025-03-21 18:01:30 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00033269 |
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| Frequency | 109.2 |
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| Structure | |
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| Chemical Formula | C13H18ClNO4S |
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| Molecular Mass | 319.0645 |
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| SMILES | CCCN(CCC)S(=O)(=O)c1ccc(C(=O)O)cc1Cl |
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| InChI Key | ZOXSWBBUEZNKTD-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 | 3-halobenzoic acidsaminosulfonyl compoundsaryl chloridesbenzenesulfonyl compoundsbenzoic acidsbenzoyl derivativescarboxylic acidschlorobenzeneshalobenzoic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganochloridesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundsorganosulfonamides |
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| Substituents | organosulfonic acid or derivativescarboxylic acid3-halobenzoic acid or derivativesorganochloridebenzoylorganosulfur compoundcarboxylic acid derivativeorganohalogen compoundorganosulfonic acid amideorganic oxide3-halobenzoic acidorganonitrogen compoundorganopnictogen compoundbenzoic acidbenzenesulfonyl grouparyl chloridechlorobenzenehalobenzoic acidbenzenesulfonamideaminosulfonyl compoundbenzoic acid or derivativeshalobenzoic acid or derivativesaryl halidearomatic homomonocyclic compoundmonocarboxylic acid or derivativessulfonylorganic oxygen compoundorganic sulfonic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundhalobenzeneorganooxygen compound |
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