| Record Information |
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| HMDB Status | detected |
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| Creation Date | 2024-02-20 23:35:45 UTC |
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| Update Date | 2025-03-21 17:57:05 UTC |
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| HMDB ID | HMDB0255588 |
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| Metabolite Identification |
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| DeepMet ID | DMID00005560 |
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| Name | Nicotine-N-oxide |
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| Frequency | 957.4 |
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| Structure | |
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| Chemical Formula | C10H14N2O |
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| Molecular Mass | 178.1106 |
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| SMILES | CN1CCCC1c1ccc[n+]([O-])c1 |
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| InChI Key | YHXKVHQFWVYXIC-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 | pyrrolidinylpyridines |
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| Direct Parent | pyrrolidinylpyridines |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | alkaloids and derivativesaralkylaminesazacyclic compoundsheteroaromatic compoundshydrocarbon derivativesmethylpyridinesn-alkylpyrrolidinesorganic oxidesorganopnictogen compoundstrialkylamines |
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| Substituents | aromatic heteromonocyclic compoundazacyclen-alkylpyrrolidinepyrrolidinylpyridineheteroaromatic compoundtertiary aliphatic aminemethylpyridinearalkylamineorganic oxidealkaloid or derivativesorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundpyrrolidineaminetertiary amine |
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