| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:10:55 UTC |
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| Update Date | 2025-03-21 18:31:54 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00088209 |
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| Frequency | 32.2 |
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| Structure | |
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| Chemical Formula | C15H17NO4S |
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| Molecular Mass | 307.0878 |
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| SMILES | COc1c(C)cnc(CS(=O)(=O)c2ccc(O)cc2)c1C |
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| InChI Key | AMYNPNPUAJJREU-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 | benzenesulfonyl compounds |
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| Direct Parent | benzenesulfonyl compounds |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids2-halopyridinesalkyl aryl ethersazacyclic compoundsheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmethylpyridinesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspolyhalopyridinessulfones |
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| Substituents | etheraromatic heteromonocyclic compoundpolyhalopyridine1-hydroxy-2-unsubstituted benzenoidalkyl aryl etherorganosulfur compoundorganic oxideorganonitrogen compoundorganopnictogen compound2-halopyridineorganoheterocyclic compoundbenzenesulfonyl groupazacycleheteroaromatic compoundhydroxypyridinemethylpyridinesulfonylpyridineorganic oxygen compoundphenolhydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundsulfone |
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