| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:20:26 UTC |
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| Update Date | 2025-03-21 18:36:35 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00111398 |
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| Frequency | 23.9 |
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| Structure | |
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| Chemical Formula | C13H13ClN2O5S |
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| Molecular Mass | 344.0234 |
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| SMILES | CNS(=O)(=O)c1cc(C(=O)O)c(NCc2ccco2)cc1Cl |
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| InChI Key | AVFGGLVFQYUWSH-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 compounds4-halobenzoic acidsamino acidsaminosulfonyl compoundsaryl chloridesbenzenesulfonyl compoundsbenzoic acidsbenzoyl derivativeschlorobenzenesfuranshalobenzoic acidsheteroaromatic compoundshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganochloridesorganooxygen compoundsorganopnictogen compoundsorganosulfonamidesoxacyclic compoundsphenylalkylaminessecondary alkylarylaminesvinylogous amides |
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| Substituents | furanorganosulfonic acid or derivativescarboxylic acidaromatic heteromonocyclic compoundamino acid or derivativesamino acidorganochloridebenzoylorganosulfur compoundcarboxylic acid derivativeorganohalogen compoundorganosulfonic acid amideorganic oxideorganonitrogen compoundorganopnictogen compound1-carboxy-2-haloaromatic compoundbenzoic acidorganoheterocyclic compoundbenzenesulfonyl grouparyl chloridechlorobenzenevinylogous amidehalobenzoic acidbenzenesulfonamide4-halobenzoic acidaminosulfonyl compoundheteroaromatic compoundbenzoic acid or derivativeshalobenzoic acid or derivativessecondary aminesecondary aliphatic/aromatic aminearyl halide4-halobenzoic acid or derivativesoxacyclemonocarboxylic acid or derivativessulfonylorganic oxygen compoundorganic sulfonic acid or derivativesphenylalkylaminehydrocarbon derivativeorganic nitrogen compoundhalobenzeneamineorganooxygen compound |
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