| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:07:53 UTC |
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| Update Date | 2025-03-25 00:56:37 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02219581 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H21N3O |
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| Molecular Mass | 271.1685 |
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| SMILES | COc1ccc(C(CCN(C)C)c2cccnc2)cn1 |
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| InChI Key | FHZIWMXOPFOJJI-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 | halopyridines |
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| Direct Parent | polyhalopyridines |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 2-halopyridinesalkyl aryl ethersazacyclic compoundsheteroaromatic compoundshydrocarbon derivativesmethylpyridinesorganopnictogen compoundstrialkylamines |
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| Substituents | etheraromatic heteromonocyclic compoundazacyclepolyhalopyridineheteroaromatic compoundtertiary aliphatic aminemethylpyridinealkyl aryl etherorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivative2-halopyridineorganic nitrogen compoundaminetertiary amineorganooxygen compound |
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