| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:20:06 UTC |
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| Update Date | 2025-03-25 01:01:09 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02247363 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H15NO4S |
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| Molecular Mass | 269.0722 |
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| SMILES | CC1=CC(C)(C)Nc2cc(OS(=O)(=O)O)ccc21 |
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| InChI Key | YGSQUCYGKLCSJC-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 | quinolones and derivatives |
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| Direct Parent | hydroquinolones |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | arylsulfatesazacyclic compoundsbenzenoidshydrocarbon derivativeshydroquinolinesorganic oxidesorganooxygen compoundsorganopnictogen compoundssecondary alkylarylaminessulfuric acid monoesters |
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| Substituents | sulfuric acid monoesterorganic sulfuric acid or derivativesazacycledihydroquinolinesecondary aminesecondary aliphatic/aromatic amineorganic oxidedihydroquinoloneorganic oxygen compoundaromatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundsulfate-esterhydrocarbon derivativearylsulfatebenzenoidorganic nitrogen compoundsulfuric acid esteramineorganooxygen compound |
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