| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:46:01 UTC |
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| Update Date | 2025-03-25 00:48:38 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02169310 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H15Cl2NO5S |
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| Molecular Mass | 403.0048 |
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| SMILES | CCN(CC(=O)O)S(=O)(=O)c1cc(Cl)ccc1Oc1ccc(Cl)cc1 |
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| InChI Key | LEYISRRDBDQPIM-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 | diphenylethers |
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| Direct Parent | diphenylethers |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alpha amino acidsaminosulfonyl compoundsaryl chloridesbenzenesulfonamidesbenzenesulfonyl compoundscarbonyl compoundscarboxylic acidschlorobenzenesdiarylethershydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganochloridesorganonitrogen compoundsorganopnictogen compoundsorganosulfonamidesphenol ethersphenoxy compounds |
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| Substituents | diaryl etherphenol etherorganosulfonic acid or derivativescarbonyl groupethercarboxylic acidorganochloridealpha-amino acid or derivativesorganosulfur compoundcarboxylic acid derivativeorganohalogen compoundorganosulfonic acid amideorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundbenzenesulfonyl grouparyl chloridechlorobenzenebenzenesulfonamideaminosulfonyl compoundaryl halidearomatic homomonocyclic compoundmonocarboxylic acid or derivativessulfonylorganic oxygen compoundorganic sulfonic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundhalobenzenephenoxy compounddiphenyletherorganooxygen compound |
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