| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:01:13 UTC |
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| Update Date | 2025-03-21 18:06:47 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00065052 |
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| Frequency | 47.2 |
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| Structure | |
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| Chemical Formula | C9H13NO3S |
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| Molecular Mass | 215.0616 |
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| SMILES | COc1c(C)cnc(CS(=O)O)c1C |
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| InChI Key | REEWGWGHHFJJPG-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-halopyridinesalkanesulfinic acids and derivativesalkyl aryl ethersazacyclic compoundsheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmethylpyridinesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsorganosulfur compoundssulfinic acids |
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| Substituents | etheraromatic heteromonocyclic compoundazacyclepolyhalopyridinesulfinic acid derivativeheteroaromatic compoundhydroxypyridinemethylpyridinealkyl aryl etherorganosulfur compoundsulfinic acidalkanesulfinic acid or derivativesorganic oxideorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivative2-halopyridineorganic nitrogen compoundorganooxygen compound |
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