| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:25:30 UTC |
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| Update Date | 2025-03-21 18:38:59 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00123481 |
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| Frequency | 20.9 |
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| Structure | |
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| Chemical Formula | C12H18N2O2 |
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| Molecular Mass | 222.1368 |
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| SMILES | CCN(CC)CCOC(=O)c1ccccn1 |
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| InChI Key | HZVYJYKWZQUXOF-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 | pyridine-2-carboxylic acids |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 2-halopyridinesamino acids and derivativesazacyclic compoundscarboxylic acid estersheteroaromatic compoundshydrocarbon derivativesmethylpyridinesmonocarboxylic acids and derivativesorganic oxidesorganooxygen compoundsorganopnictogen compoundstrialkylamines |
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| Substituents | aromatic heteromonocyclic compoundamino acid or derivativescarboxylic acid derivativeorganic oxidepyridine-2-carboxylic acidorganonitrogen compoundorganopnictogen compound2-halopyridinetertiary amineazacycleheteroaromatic compoundtertiary aliphatic aminemethylpyridinemonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid esterhydrocarbon derivativeorganic nitrogen compoundamineorganooxygen compound |
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