| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:59:30 UTC |
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| Update Date | 2025-03-25 00:53:31 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02200102 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H14N2O4 |
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| Molecular Mass | 238.0954 |
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| SMILES | Cc1ncc(CC(=O)CC(=O)O)c(CN)c1O |
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| InChI Key | SOCJXZUKHFZBOK-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-halopyridinesazacyclic compoundsbeta-hydroxy ketonesbeta-keto acids and derivativescarboxylic acidsheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compounds |
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| Substituents | beta-hydroxy ketonecarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundpolyhalopyridinecarboxylic acid derivativebeta-keto acidketoneorganic oxideorganonitrogen compoundorganopnictogen compound2-halopyridineazacycleheteroaromatic compoundhydroxypyridinemonocarboxylic acid or derivativesorganic oxygen compoundketo acidhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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