| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:22:20 UTC |
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| Update Date | 2025-03-25 01:01:54 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02252431 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H16ClN3O3S |
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| Molecular Mass | 329.0601 |
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| SMILES | NCCc1cc(S(N)(=O)=O)c(Cl)cc1NCc1ccco1 |
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| InChI Key | POPMFJDGDYDIGU-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 derivativesmonoalkylaminesorganic 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 derivativeprimary aliphatic amineorganic nitrogen compoundhalobenzeneamineorganooxygen compound |
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