| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:43:03 UTC |
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| Update Date | 2025-03-21 17:59:37 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00022150 |
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| Frequency | 179.5 |
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| Structure | |
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| Chemical Formula | C10H15NO3S |
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| Molecular Mass | 229.0773 |
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| SMILES | COc1c(C)cnc(CS(C)(=O)=O)c1C |
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| InChI Key | PTZMXTSLYJNOCA-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 ethersazacyclic compoundsheteroaromatic compoundshydrocarbon derivativesmethylpyridinesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssulfones |
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| Substituents | etheraromatic heteromonocyclic compoundazacyclepolyhalopyridineheteroaromatic compoundmethylpyridinealkyl aryl etherorganosulfur compoundorganic oxidesulfonylorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivative2-halopyridineorganic nitrogen compoundorganooxygen compoundsulfone |
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