| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:05:30 UTC |
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| Update Date | 2025-03-25 00:55:46 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02214095 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H17Cl2NO4S |
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| Molecular Mass | 353.0255 |
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| SMILES | CCCN(CCC)S(=O)(=O)c1c(Cl)cc(C(=O)O)cc1Cl |
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| InChI Key | WWYHFNHSKGTYQO-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 | benzoic acids and derivatives |
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| Direct Parent | dichlorobenzoic acids |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 3-halobenzoic acidsaminosulfonyl compoundsaryl chloridesbenzenesulfonamidesbenzenesulfonyl compoundsbenzoyl derivativescarboxylic acidsdichlorobenzeneshalobenzoic 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 compound1,3-dichlorobenzeneorganosulfonic acid amideorganic oxide3-halobenzoic acidorganonitrogen compoundorganopnictogen compound3,5-dichlorobenzoic acidbenzenesulfonyl grouparyl chloridechlorobenzenehalobenzoic acidbenzenesulfonamideaminosulfonyl compoundhalobenzoic acid or derivativesaryl halidearomatic homomonocyclic compoundmonocarboxylic acid or derivativessulfonylorganic oxygen compoundorganic sulfonic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundhalobenzeneorganooxygen compound |
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