| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:12:53 UTC |
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| Update Date | 2025-03-25 00:58:25 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02230713 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H20ClN3O3S |
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| Molecular Mass | 333.0914 |
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| SMILES | CN1CCC(O)(CNc2ccc(S(N)(=O)=O)c(Cl)c2)CC1 |
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| InChI Key | YBTAKPKOUMGIEX-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 chloridesazacyclic compoundsbenzenesulfonyl compoundschlorobenzeneshydrocarbon derivativesorganic oxidesorganochloridesorganopnictogen compoundsorganosulfonamidesphenylalkylaminespiperidinessecondary alkylarylaminestertiary alcoholstrialkylamines |
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| Substituents | organosulfonic acid or derivativesaromatic heteromonocyclic compoundorganochlorideorganosulfur compoundorganohalogen compoundorganosulfonic acid amideorganic oxideorganonitrogen compoundorganopnictogen compoundpiperidinetertiary amineorganoheterocyclic compoundbenzenesulfonyl grouparyl chloridechlorobenzenealcoholbenzenesulfonamideazacycleaminosulfonyl compoundtertiary aliphatic aminesecondary aminesecondary aliphatic/aromatic aminearyl halidetertiary alcoholsulfonylorganic oxygen compoundorganic sulfonic acid or derivativesphenylalkylaminehydrocarbon derivativeorganic nitrogen compoundhalobenzeneamineorganooxygen compound |
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