| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:31:16 UTC |
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| Update Date | 2025-03-21 18:41:56 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00136932 |
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| Frequency | 18.3 |
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| Structure | |
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| Chemical Formula | C7H4Cl3NO4S |
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| Molecular Mass | 302.8927 |
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| SMILES | NS(=O)(=O)c1cc(C(=O)O)c(Cl)c(Cl)c1Cl |
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| InChI Key | DTVQZZXBAXXJKE-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 | 1-carboxy-2-haloaromatic compounds2-halobenzoic acids3-halobenzoic acids4-halobenzoic acidsaminosulfonyl compoundsaryl chloridesbenzenesulfonyl compoundsbenzoic acidsbenzoyl derivativeschlorobenzeneshalobenzoic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic nitrogen compoundsorganic oxidesorganochloridesorganooxygen compoundsorganosulfonamidesvinylogous halides |
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| Substituents | organosulfonic acid or derivatives2-halobenzoic acidcarboxylic acid3-halobenzoic acid or derivativesorganochloridebenzoylorganosulfur compoundcarboxylic acid derivativeorganohalogen compoundorganosulfonic acid amideorganic oxide3-halobenzoic acid1-carboxy-2-haloaromatic compoundbenzoic acidbenzenesulfonyl grouparyl chloridechlorobenzenehalobenzoic acidbenzenesulfonamide4-halobenzoic acidaminosulfonyl compoundbenzoic acid or derivativeshalobenzoic acid or derivativesvinylogous halide2-halobenzoic acid or derivativesaryl halide4-halobenzoic acid or derivativesaromatic homomonocyclic compoundmonocarboxylic acid or derivativessulfonylorganic oxygen compoundorganic sulfonic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundhalobenzeneorganooxygen compound |
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