| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:20:23 UTC |
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| Update Date | 2025-03-21 18:36:34 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00111301 |
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| Frequency | 23.9 |
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| Structure | |
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| Chemical Formula | C12H16N2O2 |
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| Molecular Mass | 220.1212 |
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| SMILES | O=C(O)C1CCN(Cc2cccnc2)CC1 |
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| InChI Key | TVWPPUXVVVXIDU-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 | piperidines |
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| Subclass | piperidinecarboxylic acids and derivatives |
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| Direct Parent | piperidinecarboxylic acids |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | amino acidsaralkylaminesazacyclic compoundscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundspiperidinestrialkylamines |
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| Substituents | carbonyl groupcarboxylic acidaromatic heteromonocyclic compoundamino acid or derivativesamino acidcarboxylic acid derivativearalkylamineorganic oxideorganonitrogen compoundorganopnictogen compoundpiperidinecarboxylic acidtertiary amineazacycleheteroaromatic compoundtertiary aliphatic aminehydroxypyridinemonocarboxylic acid or derivativespyridineorganic oxygen compoundhydrocarbon derivativeorganic nitrogen compoundamineorganooxygen compound |
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