| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:03:06 UTC |
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| Update Date | 2025-03-21 18:07:29 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00069591 |
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| Frequency | 43.4 |
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| Structure | |
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| Chemical Formula | C17H22N2O3S |
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| Molecular Mass | 334.1351 |
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| SMILES | COc1c(C)cnc(CS(=O)c2ncc(C)c(OC)c2C)c1C |
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| InChI Key | QOGKRBAPQOZVMB-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 compoundssulfinyl compoundssulfoxides |
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| Substituents | etheraromatic heteromonocyclic compoundazacyclepolyhalopyridineheteroaromatic compoundmethylpyridinealkyl aryl etherorganosulfur compoundorganic oxideorganic oxygen compoundsulfinyl compoundorganonitrogen compoundsulfoxideorganopnictogen compoundhydrocarbon derivative2-halopyridineorganic nitrogen compoundorganooxygen compound |
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