| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:42:04 UTC |
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| Update Date | 2025-03-25 00:47:14 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02160353 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H8ClFN2O4S |
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| Molecular Mass | 281.9877 |
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| SMILES | NS(=O)(=O)c1cc(F)c(NCC(=O)O)cc1Cl |
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| InChI Key | BENNDNMJMFIYRR-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 | alpha amino acidsamino acidsaminosulfonyl compoundsaryl chloridesaryl fluoridesbenzenesulfonyl compoundscarbonyl compoundscarboxylic acidschlorobenzenesfluorobenzeneshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganochloridesorganofluoridesorganopnictogen compoundsorganosulfonamidesphenylalkylaminessecondary alkylarylamines |
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| Substituents | aryl fluorideorganosulfonic acid or derivativescarbonyl groupcarboxylic acidamino acid or derivativesamino acidorganochloridealpha-amino acid or derivativesorganosulfur compoundcarboxylic acid derivativeorganohalogen compoundorganosulfonic acid amidefluorobenzeneorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundbenzenesulfonyl grouparyl chloridechlorobenzenebenzenesulfonamideaminosulfonyl compoundorganofluoridesecondary aminesecondary aliphatic/aromatic aminearyl halidearomatic homomonocyclic compoundmonocarboxylic acid or derivativessulfonylorganic oxygen compoundorganic sulfonic acid or derivativesphenylalkylaminehydrocarbon derivativeorganic nitrogen compoundhalobenzeneamineorganooxygen compound |
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