| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:22:15 UTC |
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| Update Date | 2025-03-25 01:01:53 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02252255 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H13N3O4S |
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| Molecular Mass | 343.0627 |
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| SMILES | NS(=O)(=O)c1ccc(Nc2c(C(=O)O)cnc3ccccc23)cc1 |
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| InChI Key | AYGGVSRLUBFUJX-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 | 1-carboxy-2-haloaromatic compounds2-halopyridinesamino acidsaminosulfonyl compoundsazacyclic compoundsbenzenesulfonamidesbenzenesulfonyl compoundsheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmonocarboxylic acids and derivativesorganic oxidesorganooxygen compoundsorganopnictogen compoundsorganosulfonamidespolyhalopyridinespyridine-3-carboxylic acidssecondary aminesvinylogous amides |
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| Substituents | pyridine carboxylic acid or derivativesorganosulfonic acid or derivativesmonocyclic benzene moietycarboxylic acidamino acid or derivativesamino acidpyridine-3-carboxylic acidpolyhalopyridineorganosulfur compoundcarboxylic acid derivativeorganosulfonic acid amidequinoline-3-carboxylic acidorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compound1-carboxy-2-haloaromatic compound2-halopyridinebenzenesulfonyl groupvinylogous amidebenzenesulfonamideazacycleaminosulfonyl compoundheteroaromatic compoundhydroxypyridinesecondary aminemonocarboxylic acid or derivativessulfonylpyridineorganic oxygen compoundorganic sulfonic acid or derivativespyridine carboxylic acidhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compoundamine |
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