| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:08:22 UTC |
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| Update Date | 2025-03-25 00:56:47 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02220715 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H13NO2S |
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| Molecular Mass | 283.0667 |
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| SMILES | O=C(O)CCSc1nc2ccccc2c2ccccc12 |
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| InChI Key | JYATYPHOMYUXIP-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 | benzoquinolines |
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| Direct Parent | phenanthridines and derivatives |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 2-halopyridinesalkylarylthioethersazacyclic compoundsbenzenoidscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesisoquinolines and derivativesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspolyhalopyridinessulfenyl compounds |
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| Substituents | carbonyl groupcarboxylic acidpolyhalopyridinealkylarylthioetherorganosulfur compoundcarboxylic acid derivativearyl thioetherorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compound2-halopyridinesulfenyl compoundazacycleheteroaromatic compoundhydroxypyridinemonocarboxylic acid or derivativespyridineorganic oxygen compoundthioetherisoquinolinehydrocarbon derivativebenzenoidphenanthridineorganic nitrogen compoundorganooxygen compound |
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