| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:01:55 UTC |
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| Update Date | 2025-03-25 00:54:20 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02205642 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C10H11ClN2O4S |
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| Molecular Mass | 290.0128 |
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| SMILES | NS(=O)(=O)c1cc2c(cc1Cl)NCCC2C(=O)O |
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| InChI Key | KLYDTMZKQIVOJJ-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 | quinoline carboxylic acids |
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| Direct Parent | quinoline carboxylic acids |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | amino acidsaminosulfonyl compoundsaryl chloridesazacyclic compoundsbenzenoidscarbonyl compoundscarboxylic acidshydrocarbon derivativeshydroquinolinesmonocarboxylic acids and derivativesorganic oxidesorganochloridesorganopnictogen compoundsorganosulfonamidessecondary alkylarylamines |
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| Substituents | organosulfonic acid or derivativescarbonyl groupcarboxylic acidamino acid or derivativesamino acidorganochloridequinoline-4-carboxylic acidorganosulfur compoundcarboxylic acid derivativeorganohalogen compoundorganosulfonic acid amideorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundtetrahydroquinolinearyl chlorideazacycleaminosulfonyl compoundsecondary aminesecondary aliphatic/aromatic aminearyl halidemonocarboxylic acid or derivativessulfonylorganic oxygen compoundorganic sulfonic acid or derivativeshydrocarbon derivativebenzenoidorganic nitrogen compoundamineorganooxygen compound |
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