| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:59:08 UTC |
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| Update Date | 2025-03-25 00:53:22 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02199250 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H11NO5 |
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| Molecular Mass | 249.0637 |
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| SMILES | O=C(O)c1cc(=O)c2c(OCCO)cccc2[nH]1 |
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| InChI Key | TWGXBQGJCSLWKK-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-halopyridinesalcohols and polyolsalkyl aryl ethersazacyclic compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativeshydroquinolineshydroquinoloneshydroxypyridinesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsphenol etherspolyhalopyridinespyridine-2-carboxylic acidsvinylogous amidesvinylogous esters |
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| Substituents | pyridine carboxylic acid or derivativesphenol etherethercarboxylic acidpolyhalopyridinealkyl aryl ethercarboxylic acid derivativeorganic oxidepyridine-2-carboxylic acidaromatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compound2-halopyridinealcoholvinylogous amideazacyclevinylogous esterheteroaromatic compoundhydroxypyridinedihydroquinolinemonocarboxylic acid or derivativesdihydroquinolonepyridineorganic oxygen compoundpyridine carboxylic acidquinoline-2-carboxylic acidhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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