| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:02:25 UTC |
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| Update Date | 2025-03-25 00:54:30 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02206762 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H15N3O |
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| Molecular Mass | 205.1215 |
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| SMILES | O=C(NCc1cccnc1)C1CCNC1 |
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| InChI Key | BDRQTVIFLJJMBI-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 | azacyclic compoundscarbonyl compoundscarboxylic acids and derivativesdialkylaminesheteroaromatic compoundshydrocarbon derivativesorganic oxidesorganopnictogen compoundspyridines and derivativespyrrolidinecarboxamidessecondary carboxylic acid amides |
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| Substituents | carbonyl grouparomatic heteromonocyclic compoundorganic oxideorganonitrogen compoundorganopnictogen compoundpyrrolidineorganoheterocyclic compoundsecondary aliphatic amineazacycleheteroaromatic compoundsecondary aminecarboxamide groupbeta amino acid or derivativessecondary carboxylic acid amidepyrrolidine carboxylic acid or derivativespyridineorganic oxygen compoundpyrrolidine-3-carboxamidehydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundamine |
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