| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 06:55:00 UTC |
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| Update Date | 2025-03-24 18:01:28 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID01046211 |
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| Frequency | 1.3 |
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| Structure | |
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| Chemical Formula | C6H8N2O |
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| Molecular Mass | 124.0637 |
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| SMILES | CNc1cc(=O)cc[nH]1 |
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| InChI Key | AUABOVXIFSRHHE-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic nitrogen compounds |
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| Class | organonitrogen compounds |
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| Subclass | amines |
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| Direct Parent | secondary alkylarylamines |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 2-halopyridinesazacyclic compoundscyclic ketonesheteroaromatic compoundshydrocarbon derivativesmethylpyridinesorganic oxidesorganooxygen compoundsorganopnictogen compoundsvinylogous amides |
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| Substituents | vinylogous amidearomatic heteromonocyclic compoundazacycleheteroaromatic compoundmethylpyridinecyclic ketonesecondary aliphatic/aromatic amineorganic oxidepyridineorganic oxygen compoundorganopnictogen compoundhydrocarbon derivative2-halopyridineorganoheterocyclic compoundorganooxygen compound |
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