| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:28:20 UTC |
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| Update Date | 2025-03-21 18:40:28 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00130241 |
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| Frequency | 19.5 |
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| Structure | |
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| Chemical Formula | C11H9Cl2NO4S |
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| Molecular Mass | 320.9629 |
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| SMILES | O=S(=O)(O)c1cc(Cl)c(NCc2ccco2)cc1Cl |
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| InChI Key | WZNATXSHZKMATN-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 | benzenesulfonic acids and derivatives |
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| Direct Parent | benzenesulfonic acids and derivatives |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 1-sulfo,2-unsubstituted aromatic compoundsaryl chloridesarylsulfonic acids and derivativesbenzenesulfonyl compoundsdichlorobenzenesfuransheteroaromatic compoundshydrocarbon derivativesorganic oxidesorganochloridesorganooxygen compoundsorganopnictogen compoundsorganosulfonic acidsoxacyclic compoundsphenylalkylaminessecondary alkylarylaminessulfonyls |
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| Substituents | furanorganosulfonic acid or derivativesaromatic heteromonocyclic compoundorganochlorideorganosulfonic acidbenzenesulfonateorganosulfur compoundorganohalogen compoundorganic oxideorganonitrogen compoundorganopnictogen compoundorganoheterocyclic compoundbenzenesulfonyl grouparyl chloridechlorobenzene1,4-dichlorobenzene1-sulfo,2-unsubstituted aromatic compoundheteroaromatic compoundsecondary aminesecondary aliphatic/aromatic aminearyl halideoxacyclesulfonylorganic oxygen compoundarylsulfonic acid or derivativesorganic sulfonic acid or derivativesphenylalkylaminehydrocarbon derivativeorganic nitrogen compoundhalobenzeneamineorganooxygen compound |
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