| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:15:29 UTC |
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| Update Date | 2025-03-25 00:59:22 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02236680 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H7ClO5S |
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| Molecular Mass | 249.9703 |
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| SMILES | CS(=O)(=O)c1cc(Cl)c(O)c(C(=O)O)c1 |
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| InChI Key | WSUWHVJORPJLTA-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 | salicylic acids |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-carboxy-2-haloaromatic compounds3-halobenzoic acidsaryl chloridesbenzenesulfonyl compoundsbenzoic acidsbenzoyl derivativeschlorobenzeneshalobenzoic acidshalophenolshydrocarbon derivativesmonocarboxylic acids and derivativeso-chlorophenolsorganic oxidesorganochloridesorganooxygen compoundssulfonesvinylogous acids |
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| Substituents | carboxylic acid3-halobenzoic acid or derivativesorganochloridebenzoylsalicylic acidorganosulfur compoundcarboxylic acid derivativeorganohalogen compoundorganic oxide3-halobenzoic acid1-carboxy-2-haloaromatic compoundbenzoic acidbenzenesulfonyl grouparyl chloride2-chlorophenolchlorobenzenehalobenzoic acidhalobenzoic acid or derivativesaryl halidearomatic homomonocyclic compound2-halophenolvinylogous acidmonocarboxylic acid or derivativessulfonylorganic oxygen compoundphenolhydrocarbon derivativehalobenzeneorganooxygen compoundsulfone |
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