| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:21:38 UTC |
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| Update Date | 2025-03-21 18:37:09 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00114305 |
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| Frequency | 23.1 |
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| Structure | |
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| Chemical Formula | C8H10N2O |
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| Molecular Mass | 150.0793 |
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| SMILES | CNCC(=O)c1cccnc1 |
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| InChI Key | QLHVNVRZVVLVQN-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 | azacyclic compoundsdialkylaminesheteroaromatic compoundshydrocarbon derivativesmethylpyridinesorganic oxidesorganooxygen compoundsorganopnictogen compounds |
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| Substituents | secondary aliphatic aminearyl alkyl ketonearomatic heteromonocyclic compoundazacycleheteroaromatic compoundmethylpyridinesecondary amineorganic oxidepyridineorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganoheterocyclic compoundamine |
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