| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:10:05 UTC |
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| Update Date | 2025-03-25 00:57:25 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02224620 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C15H15ClN2O6S |
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| Molecular Mass | 386.0339 |
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| SMILES | NS(=O)(=O)c1cc(C(=O)O)c(NCc2ccc(O)cc2)c(CO)c1Cl |
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| InChI Key | KFVQNCWEVCDMGW-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 compounds1-hydroxy-2-unsubstituted benzenoids4-halobenzoic acidsamino acidsaminosulfonyl compoundsaromatic alcoholsaryl chloridesbenzenesulfonyl compoundsbenzoic acidsbenzoyl derivativesbenzyl alcoholschlorobenzeneshalobenzoic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganochloridesorganopnictogen compoundsorganosulfonamidesphenylalkylaminessecondary alkylarylaminesvinylogous amides |
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| Substituents | aromatic alcoholorganosulfonic acid or derivativescarboxylic acidamino acid or derivativesamino acidorganochloridebenzoyl1-hydroxy-2-unsubstituted benzenoidorganosulfur compoundcarboxylic acid derivativeorganohalogen compoundorganosulfonic acid amideorganic oxideorganonitrogen compoundorganopnictogen compound1-carboxy-2-haloaromatic compoundbenzoic acidbenzenesulfonyl grouparyl chloridechlorobenzenealcoholvinylogous amidehalobenzoic acidbenzenesulfonamide4-halobenzoic acidaminosulfonyl compoundbenzoic acid or derivativeshalobenzoic acid or derivativesbenzyl alcoholsecondary aminesecondary aliphatic/aromatic aminearyl halide4-halobenzoic acid or derivativesaromatic homomonocyclic compoundmonocarboxylic acid or derivativessulfonylorganic oxygen compoundorganic sulfonic acid or derivativesphenylalkylaminephenolhydrocarbon derivativeorganic nitrogen compoundhalobenzeneamineorganooxygen compound |
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