| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:42:04 UTC |
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| Update Date | 2025-03-25 00:47:14 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02160351 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C7H6ClNO7S2 |
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| Molecular Mass | 314.9274 |
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| SMILES | NS(=O)(=O)c1cc(Cl)c(C(=O)O)cc1S(=O)(=O)O |
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| InChI Key | VOPJBFYGCZTMHT-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 | benzenesulfonic acids and derivatives |
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| Direct Parent | 3-sulfobenzoic acids |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-carboxy-2-haloaromatic compounds1-sulfo,2-unsubstituted aromatic compounds2-halobenzoic acidsaminosulfonyl compoundsaryl chloridesarylsulfonic acids and derivativesbenzenesulfonamidesbenzenesulfonyl compoundsbenzoic acidsbenzoyl derivativeschlorobenzeneshalobenzoic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic nitrogen compoundsorganic oxidesorganochloridesorganooxygen compoundsorganosulfonamidesorganosulfonic acidsvinylogous halides |
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| Substituents | organosulfonic acid or derivatives2-halobenzoic acidcarboxylic acidorganochlorideorganosulfonic acidbenzoylorganosulfur compoundcarboxylic acid derivativeorganohalogen compoundorganosulfonic acid amideorganic oxide3-sulfobenzoic acid1-carboxy-2-haloaromatic compoundbenzoic acidbenzenesulfonyl grouparyl chloridechlorobenzenehalobenzoic acidbenzenesulfonamide1-sulfo,2-unsubstituted aromatic compoundaminosulfonyl compoundbenzoic acid or derivativeshalobenzoic acid or derivativesvinylogous halide2-halobenzoic acid or derivativesaryl halidearomatic homomonocyclic compoundmonocarboxylic acid or derivativessulfonylorganic oxygen compoundarylsulfonic acid or derivativesorganic sulfonic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundhalobenzeneorganooxygen compound |
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