| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:49:04 UTC |
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| Update Date | 2025-03-21 18:02:05 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00036310 |
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| Frequency | 97.5 |
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| Structure | |
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| Chemical Formula | C13H11ClN2O4S |
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| Molecular Mass | 326.0128 |
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| SMILES | NS(=O)(=O)c1cc(C(=O)O)c(Nc2ccccc2)cc1Cl |
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| InChI Key | FFYAFGCUKMRIIP-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 | benzenesulfonamides |
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| Direct Parent | benzenesulfonamides |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-carboxy-2-haloaromatic compounds4-halobenzoic acidsamino acidsaminosulfonyl compoundsaryl chloridesbenzenesulfonyl compoundsbenzoic acidsbenzoyl derivativeschlorobenzeneshalobenzoic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganochloridesorganooxygen compoundsorganopnictogen compoundsorganosulfonamidessecondary aminesvinylogous amides |
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| Substituents | organosulfonic acid or derivativescarboxylic acidamino acid or derivativesamino acidorganochloridebenzoylorganosulfur compoundcarboxylic acid derivativeorganohalogen compoundorganosulfonic acid amideorganic oxideorganonitrogen compoundorganopnictogen compound1-carboxy-2-haloaromatic compoundbenzoic acidbenzenesulfonyl grouparyl chloridechlorobenzenevinylogous amidehalobenzoic acidbenzenesulfonamide4-halobenzoic acidaminosulfonyl compoundbenzoic acid or derivativeshalobenzoic acid or derivativessecondary aminearyl halide4-halobenzoic acid or derivativesaromatic homomonocyclic compoundmonocarboxylic acid or derivativessulfonylorganic oxygen compoundorganic sulfonic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundhalobenzeneorganooxygen compoundamine |
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