| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:42:33 UTC |
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| Update Date | 2025-03-25 00:47:24 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02161423 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H13N3O3 |
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| Molecular Mass | 247.0957 |
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| SMILES | NCCNc1cccc2c(=O)cc(C(=O)O)[nH]c12 |
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| InChI Key | FVHBYXGCROYPJL-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 | 2-halopyridinesamino acidsazacyclic compoundsbenzenoidscarboxylic acidsheteroaromatic compoundshydrocarbon derivativeshydroquinolineshydroquinoloneshydroxypyridinesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganooxygen compoundsorganopnictogen compoundspolyhalopyridinespyridine-2-carboxylic acidssecondary alkylarylaminesvinylogous amides |
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| Substituents | pyridine carboxylic acid or derivativescarboxylic acidamino acid or derivativesamino acidpolyhalopyridinecarboxylic acid derivativeorganic oxidepyridine-2-carboxylic acidaromatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compound2-halopyridinevinylogous amideazacycleheteroaromatic compoundhydroxypyridinedihydroquinolinesecondary aminesecondary aliphatic/aromatic aminemonocarboxylic acid or derivativesdihydroquinolonepyridineorganic oxygen compoundpyridine carboxylic acidquinoline-2-carboxylic acidhydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundamineorganooxygen compound |
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