| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:01:57 UTC |
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| Update Date | 2025-03-25 00:54:21 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02205706 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H17N3O |
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| Molecular Mass | 219.1372 |
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| SMILES | NCCC(=O)N1CCCC1c1ccccn1 |
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| InChI Key | IFUOHHVHLRJBHH-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | carboxylic acids and derivatives |
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| Subclass | amino acids, peptides, and analogues |
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| Direct Parent | beta amino acids and derivatives |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 2-halopyridinesazacyclic compoundscarbonyl compoundscarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativesmonoalkylaminesn-acylpyrrolidinesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyridines and derivativestertiary carboxylic acid amides |
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| Substituents | carbonyl grouparomatic heteromonocyclic compoundazacycleheteroaromatic compoundn-acylpyrrolidinecarboxamide groupbeta amino acid or derivativesorganic oxidepyridineorganic oxygen compoundtertiary carboxylic acid amideorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeprimary aliphatic amine2-halopyridineorganic nitrogen compoundpyrrolidineorganoheterocyclic compoundorganooxygen compound |
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