| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:16:57 UTC |
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| Update Date | 2025-03-21 18:34:53 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00102878 |
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| Frequency | 26.4 |
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| Structure | |
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| Chemical Formula | C11H12ClN3O5S2 |
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| Molecular Mass | 364.9907 |
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| SMILES | NS(=O)(=O)c1cc(S(N)(=O)=O)c(NCc2ccco2)cc1Cl |
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| InChI Key | HBHVEDVIJGINNV-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 | aminosulfonyl compoundsaryl chloridesbenzenesulfonyl compoundschlorobenzenesfuransheteroaromatic compoundshydrocarbon derivativesorganic oxidesorganochloridesorganooxygen compoundsorganopnictogen compoundsorganosulfonamidesoxacyclic compoundsphenylalkylaminessecondary alkylarylamines |
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| Substituents | furanorganosulfonic acid or derivativesaromatic heteromonocyclic compoundorganochlorideorganosulfur compoundorganohalogen compoundorganosulfonic acid amideorganic oxideorganonitrogen compoundorganopnictogen compoundorganoheterocyclic compoundbenzenesulfonyl grouparyl chloridechlorobenzenebenzenesulfonamideaminosulfonyl compoundheteroaromatic compoundsecondary aminesecondary aliphatic/aromatic aminearyl halideoxacyclesulfonylorganic oxygen compoundorganic sulfonic acid or derivativesphenylalkylaminehydrocarbon derivativeorganic nitrogen compoundhalobenzeneamineorganooxygen compound |
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