| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:59:47 UTC |
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| Update Date | 2025-03-25 00:53:37 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02200804 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H16N2O3S |
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| Molecular Mass | 280.0882 |
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| SMILES | COc1ccc2c(NCCS(C)(=O)=O)ccnc2c1 |
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| InChI Key | XOQSWRYMEDUIMF-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 | quinolines and derivatives |
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| Subclass | quinolines and derivatives |
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| Direct Parent | quinolines and derivatives |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 2-halopyridinesalkyl aryl ethersanisolesazacyclic compoundsheteroaromatic compoundshydrocarbon derivativesmethylpyridinesorganic oxidesorganopnictogen compoundspolyhalopyridinessecondary alkylarylaminessulfones |
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| Substituents | phenol etheretherpolyhalopyridinealkyl aryl etherorganosulfur compoundorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundquinolineorganopnictogen compound2-halopyridineazacycleheteroaromatic compoundmethylpyridinesecondary aminesecondary aliphatic/aromatic aminesulfonylpyridineorganic oxygen compoundanisolehydrocarbon derivativebenzenoidorganic nitrogen compoundamineorganooxygen compoundsulfone |
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