| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:58:47 UTC |
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| Update Date | 2025-03-21 18:05:50 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00059271 |
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| Frequency | 53.1 |
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| Structure | |
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| Chemical Formula | C11H15NO4 |
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| Molecular Mass | 225.1001 |
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| SMILES | Cc1ncc(CCCCO)c(C(=O)O)c1O |
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| InChI Key | AJYPNZVDIQINRK-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 | pyridines and derivatives |
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| Subclass | pyridinecarboxylic acids and derivatives |
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| Direct Parent | pyridinecarboxylic acids |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 1-carboxy-2-haloaromatic compounds2-halopyridinesalcohols and polyolsazacyclic compoundsheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspolyhalopyridinesvinylogous acids |
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| Substituents | alcoholcarboxylic acidaromatic heteromonocyclic compoundazacyclepolyhalopyridineheteroaromatic compoundhydroxypyridinecarboxylic acid derivativevinylogous acidorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundorganonitrogen compoundpyridine carboxylic acidorganopnictogen compoundhydrocarbon derivative1-carboxy-2-haloaromatic compound2-halopyridineorganic nitrogen compoundorganooxygen compound |
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