| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:54:58 UTC |
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| Update Date | 2025-03-21 18:04:24 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00050460 |
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| Frequency | 65.1 |
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| Structure | |
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| Chemical Formula | C7H5Cl2NO4S |
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| Molecular Mass | 268.9316 |
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| SMILES | NS(=O)(=O)c1cc(C(=O)O)cc(Cl)c1Cl |
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| InChI Key | KZGNROXSHPSJSN-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 acids4-halobenzoic acidsaminosulfonyl compoundsaryl chloridesbenzenesulfonamidesbenzenesulfonyl compoundsbenzoyl derivativescarboxylic acidsdichlorobenzeneshalobenzoic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic nitrogen compoundsorganic oxidesorganochloridesorganooxygen compoundsorganosulfonamides |
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| Substituents | organosulfonic acid or derivativescarboxylic acid3-halobenzoic acid or derivativesorganochloridebenzoylorganosulfur compoundcarboxylic acid derivativeorganohalogen compoundorganosulfonic acid amideorganic oxide3-halobenzoic acid1,2-dichlorobenzenebenzenesulfonyl grouparyl chloridechlorobenzenehalobenzoic acidbenzenesulfonamide4-halobenzoic acidaminosulfonyl compoundhalobenzoic acid or derivativesaryl halide4-halobenzoic acid or derivativesaromatic homomonocyclic compoundmonocarboxylic acid or derivativessulfonylorganic oxygen compoundorganic sulfonic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundhalobenzene3,4-dichlorobenzoic acidorganooxygen compound |
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