| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:46:18 UTC |
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| Update Date | 2025-03-21 18:00:51 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00029660 |
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| Frequency | 125.9 |
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| Structure | |
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| Chemical Formula | C13H12ClN3O4S |
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| Molecular Mass | 341.0237 |
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| SMILES | NS(=O)(=O)c1cc(C(=O)O)c(NCc2ccccn2)cc1Cl |
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| InChI Key | KQHQMLDXVDOODR-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 heteromonocyclic compounds |
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| Alternative Parents | 1-carboxy-2-haloaromatic compounds2-halopyridines4-halobenzoic acidsamino acidsaminosulfonyl compoundsaryl chloridesazacyclic compoundsbenzenesulfonyl compoundsbenzoic acidsbenzoyl derivativeschlorobenzeneshalobenzoic acidsheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmonocarboxylic acids and derivativesorganic oxidesorganochloridesorganooxygen compoundsorganopnictogen compoundsorganosulfonamidesphenylalkylaminessecondary alkylarylaminesvinylogous amides |
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| Substituents | carboxylic acidamino acid or derivativesorganochloridebenzoylorganonitrogen compound1-carboxy-2-haloaromatic compoundorganoheterocyclic compoundbenzenesulfonyl grouparyl chloridechlorobenzenevinylogous amidehalobenzoic acidbenzenesulfonamide4-halobenzoic acidazacycleheteroaromatic compoundsecondary aliphatic/aromatic aminearyl halide4-halobenzoic acid or derivativespyridinehydrocarbon derivativehalobenzeneamineorganosulfonic acid or derivativesaromatic heteromonocyclic compoundamino acidorganosulfur compoundcarboxylic acid derivativeorganohalogen compoundorganosulfonic acid amideorganic oxideorganopnictogen compound2-halopyridinebenzoic acidaminosulfonyl compoundhydroxypyridinebenzoic acid or derivativeshalobenzoic acid or derivativessecondary aminemonocarboxylic acid or derivativessulfonylorganic oxygen compoundorganic sulfonic acid or derivativesphenylalkylamineorganic nitrogen compoundorganooxygen compound |
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