| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:14:34 UTC |
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| Update Date | 2025-03-21 18:33:40 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00097005 |
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| Frequency | 28.5 |
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| Structure | |
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| Chemical Formula | C9H14N2O2S |
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| Molecular Mass | 214.0776 |
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| SMILES | COc1c(C)cnc(CS(N)=O)c1C |
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| InChI Key | NCJXYQQOTSOKIA-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 ethersaminosulfinyl compoundsazacyclic compoundsheteroaromatic compoundshydrocarbon derivativesmethylpyridinesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssulfinic acid amides |
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| Substituents | etheraromatic heteromonocyclic compoundazacyclepolyhalopyridinesulfinic acid derivativeheteroaromatic compoundmethylpyridinesulfinic acid amidealkyl aryl etherorganosulfur compoundaminosulfinyl compoundorganic oxideorganic oxygen compoundsulfinyl compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivative2-halopyridineorganic nitrogen compoundorganooxygen compound |
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