| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:19:45 UTC |
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| Update Date | 2025-03-21 18:36:15 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00109732 |
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| Frequency | 24.4 |
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| Structure | |
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| Chemical Formula | C7H4Cl2O5S |
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| Molecular Mass | 269.9157 |
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| SMILES | O=C(O)c1cc(Cl)c(Cl)c(S(=O)(=O)O)c1 |
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| InChI Key | XNALDCMWLAZUCU-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-sulfo,2-unsubstituted aromatic compounds3-halobenzoic acids4-halobenzoic acidsaryl chloridesarylsulfonic acids and derivativesbenzenesulfonyl compoundsbenzoyl derivativescarboxylic acidsdichlorobenzenesdichlorobenzoic acidshalobenzoic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganochloridesorganooxygen compoundsorganosulfonic acidssulfonyls |
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| Substituents | organosulfonic acid or derivativescarboxylic acid3-halobenzoic acid or derivativesorganochlorideorganosulfonic acidbenzoylorganosulfur compoundcarboxylic acid derivativeorganohalogen compoundorganic oxide3-halobenzoic acid1,2-dichlorobenzene3-sulfobenzoic acidbenzoic acidbenzenesulfonyl grouparyl chloridechlorobenzenehalobenzoic acid4-halobenzoic acid1-sulfo,2-unsubstituted aromatic compoundbenzoic acid or derivativeshalobenzoic acid or derivativesaryl halide4-halobenzoic acid or derivativesaromatic homomonocyclic compoundmonocarboxylic acid or derivativessulfonylorganic oxygen compoundarylsulfonic acid or derivativesorganic sulfonic acid or derivativeshydrocarbon derivativehalobenzene3,4-dichlorobenzoic acidorganooxygen compound |
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