| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:30:19 UTC |
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| Update Date | 2025-03-21 18:41:31 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00134755 |
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| Frequency | 18.7 |
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| Structure | |
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| Chemical Formula | C13H22N2O3S |
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| Molecular Mass | 286.1351 |
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| SMILES | CCN(CC)S(=O)(=O)Cc1ncc(C)c(OC)c1C |
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| InChI Key | CHMUXACOECTLIG-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organoheterocyclic compounds |
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| Class | pyridines and derivatives |
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| Subclass | halopyridines |
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| Direct Parent | polyhalopyridines |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 2-halopyridinesalkyl aryl ethersaminosulfonyl compoundsazacyclic compoundsheteroaromatic compoundshydrocarbon derivativesmethylpyridinesorganic oxidesorganic sulfonamidesorganonitrogen compoundsorganopnictogen compoundsorganosulfonamides |
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| Substituents | organosulfonic acid or derivativesetheraromatic heteromonocyclic compoundpolyhalopyridinealkyl aryl etherorganosulfur compoundorganosulfonic acid amideorganic oxideorganonitrogen compoundorganopnictogen compound2-halopyridineazacycleaminosulfonyl compoundheteroaromatic compoundmethylpyridinesulfonylorganic oxygen compoundorganic sulfonic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundorganic sulfonic acid amideorganooxygen compound |
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