| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:18:24 UTC |
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| Update Date | 2025-03-21 18:35:36 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00106432 |
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| Frequency | 25.3 |
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| Structure | |
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| Chemical Formula | C10H12N2O |
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| Molecular Mass | 176.095 |
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| SMILES | O=C(c1ccccn1)C1CCCN1 |
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| InChI Key | TUDSQEHXGQJASC-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic oxygen compounds |
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| Class | organooxygen compounds |
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| Subclass | carbonyl compounds |
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| Direct Parent | aryl alkyl ketones |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 2-halopyridinesazacyclic compoundsdialkylaminesheteroaromatic compoundshydrocarbon derivativesorganic oxidesorganooxygen compoundsorganopnictogen compoundspyridines and derivativespyrrolidines |
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| Substituents | secondary aliphatic aminearyl alkyl ketonearomatic heteromonocyclic compoundazacycleheteroaromatic compoundsecondary amineorganic oxidepyridineorganonitrogen compoundorganopnictogen compoundhydrocarbon derivative2-halopyridineorganic nitrogen compoundpyrrolidineorganoheterocyclic compoundamine |
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