| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:00:38 UTC |
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| Update Date | 2025-03-21 18:06:32 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00063663 |
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| Frequency | 48.5 |
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| Structure | |
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| Chemical Formula | C15H17NO3S |
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| Molecular Mass | 291.0929 |
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| SMILES | COc1ccnc(CS(=O)c2ccc(C)cc2)c1OC |
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| InChI Key | ZDYXUDHMPCUCSX-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | benzenoids |
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| Class | benzene and substituted derivatives |
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| Subclass | phenyl sulfoxides |
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| Direct Parent | phenyl sulfoxides |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 2-halopyridinesalkyl aryl ethersazacyclic compoundsheteroaromatic compoundshydrocarbon derivativesmethylpyridinesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspolyhalopyridinessulfinyl compoundssulfoxidestoluenes |
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| Substituents | etheraromatic heteromonocyclic compoundpolyhalopyridinealkyl aryl etherorganosulfur compoundorganic oxidephenyl sulfoxidesulfinyl compoundorganonitrogen compoundorganopnictogen compound2-halopyridineorganoheterocyclic compoundazacycleheteroaromatic compoundmethylpyridinepyridineorganic oxygen compoundsulfoxidehydrocarbon derivativeorganic nitrogen compoundtolueneorganooxygen compound |
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