| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:53:41 UTC |
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| Update Date | 2025-03-25 00:51:26 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02186923 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C7H6ClNO3S |
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| Molecular Mass | 218.9757 |
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| SMILES | NS(=O)c1ccc(Cl)c(C(=O)O)c1 |
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| InChI Key | LQLNFBPUFOUMJA-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 | m-sulfanylbenzoic acids |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-carboxy-2-haloaromatic compounds2-halobenzoic acidsaminosulfinyl compoundsaryl chloridesbenzoic acidsbenzoyl derivativeschlorobenzeneshalobenzoic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic nitrogen compoundsorganic oxidesorganochloridesorganooxygen compoundssulfinic acid amidesvinylogous halides |
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| Substituents | 2-halobenzoic acidcarboxylic acidorganochloridesulfinic acid derivativebenzoylsulfinic acid amideorganosulfur compoundcarboxylic acid derivativeorganohalogen compoundorganic oxidesulfinyl compound1-carboxy-2-haloaromatic compoundbenzoic acidm-sulfanylbenzoic acidaryl chloridechlorobenzenehalobenzoic acidhalobenzoic acid or derivativesvinylogous halide2-halobenzoic acid or derivativesaryl halidearomatic homomonocyclic compoundaminosulfinyl compoundmonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativeorganic nitrogen compoundhalobenzeneorganooxygen compound |
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