| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:43:23 UTC |
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| Update Date | 2025-03-25 00:47:40 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02163335 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H9NO4 |
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| Molecular Mass | 195.0532 |
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| SMILES | O=C(O)C(=O)Cc1ncccc1CO |
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| InChI Key | PJCFYHAKDUFANF-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 | halopyridines |
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| Direct Parent | polyhalopyridines |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 2-halopyridinesalpha-hydroxy ketonesalpha-keto acids and derivativesaromatic alcoholsazacyclic compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compounds |
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| Substituents | aromatic alcoholcarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundpolyhalopyridinealpha-hydroxy ketonecarboxylic acid derivativeketoneorganic oxideorganonitrogen compoundalpha-keto acidorganopnictogen compound2-halopyridinealcoholazacycleheteroaromatic compoundhydroxypyridinemonocarboxylic acid or derivativesorganic oxygen compoundketo acidhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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