| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:19:42 UTC |
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| Update Date | 2025-03-21 18:36:14 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00109610 |
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| Frequency | 24.4 |
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| Structure | |
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| Chemical Formula | C7H5Cl2NO5S |
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| Molecular Mass | 284.9265 |
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| SMILES | NS(=O)(=O)c1cc(C(=O)O)c(O)c(Cl)c1Cl |
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| InChI Key | FTRSFFMIUFQIOJ-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 | dichlorobenzoic acids |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-carboxy-2-haloaromatic compounds3-halobenzoic acids4-halobenzoic acidsaminosulfonyl compoundsaryl chloridesbenzenesulfonamidesbenzenesulfonyl compoundsbenzoyl derivativesdichlorobenzeneshalobenzoic acidshalophenolshydrocarbon derivativesm-chlorophenolsmonocarboxylic acids and derivativeso-chlorophenolsorganic nitrogen compoundsorganic oxidesorganochloridesorganooxygen compoundsorganosulfonamidessalicylic acidsvinylogous acids |
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| Substituents | organosulfonic acid or derivativescarboxylic acid3-halobenzoic acid or derivativesorganochloridebenzoylsalicylic acidorganosulfur compoundcarboxylic acid derivativeorganohalogen compoundorganosulfonic acid amideorganic oxide3-halobenzoic acid1,2-dichlorobenzene1-carboxy-2-haloaromatic compoundbenzenesulfonyl grouparyl chloride2-chlorophenolchlorobenzene3-halophenol3-chlorophenolhalobenzoic acidbenzenesulfonamide4-halobenzoic acidaminosulfonyl compoundhalobenzoic acid or derivativesaryl halidehydroxybenzoic acid4-halobenzoic acid or derivativesaromatic homomonocyclic compound2-halophenolvinylogous acidmonocarboxylic acid or derivativessulfonylorganic oxygen compoundsalicylic acid or derivativesorganic sulfonic acid or derivativesphenolhydrocarbon derivativeorganic nitrogen compoundhalobenzene3,4-dichlorobenzoic acidorganooxygen compound |
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