| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:10:51 UTC |
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| Update Date | 2025-03-21 18:31:53 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00088066 |
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| Frequency | 32.2 |
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| Structure | |
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| Chemical Formula | C11H16N2O |
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| Molecular Mass | 192.1263 |
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| SMILES | COc1ccc(C2CCCN2C)cn1 |
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| InChI Key | XBNGALKSPXKWLO-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 | 2-halopyridinesalkaloids and derivativesalkyl aryl ethersaralkylaminesazacyclic compoundsheteroaromatic compoundshydrocarbon derivativesmethylpyridinesn-alkylpyrrolidinesorganopnictogen compoundspolyhalopyridinestrialkylamines |
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| Substituents | etheraromatic heteromonocyclic compoundpyrrolidinylpyridinepolyhalopyridinealkyl aryl etheraralkylamineorganonitrogen compoundorganopnictogen compound2-halopyridinepyrrolidinetertiary amineazacyclen-alkylpyrrolidineheteroaromatic compoundtertiary aliphatic aminemethylpyridinealkaloid or derivativesorganic oxygen compoundhydrocarbon derivativeorganic nitrogen compoundamineorganooxygen compound |
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