| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:56:02 UTC |
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| Update Date | 2025-03-21 18:04:47 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00052851 |
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| Frequency | 61.4 |
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| Structure | |
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| Chemical Formula | C12H17Cl2NO2S |
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| Molecular Mass | 309.0357 |
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| SMILES | CCCN(CCC)S(=O)(=O)c1ccc(Cl)cc1Cl |
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| InChI Key | XSWBNOLZEJPRFL-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 compoundsaryl chloridesbenzenesulfonyl compoundsdichlorobenzeneshydrocarbon derivativesorganic oxidesorganochloridesorganonitrogen compoundsorganopnictogen compoundsorganosulfonamides |
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| Substituents | organosulfonic acid or derivativesorganochlorideorganosulfur compoundorganohalogen compound1,3-dichlorobenzeneorganosulfonic acid amideorganic oxideorganonitrogen compoundorganopnictogen compoundbenzenesulfonyl grouparyl chloridechlorobenzenebenzenesulfonamideaminosulfonyl compoundaryl halidearomatic homomonocyclic compoundsulfonylorganic oxygen compoundorganic sulfonic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundhalobenzene |
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