| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:20:16 UTC |
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| Update Date | 2025-03-21 18:36:30 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00110984 |
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| Frequency | 24.0 |
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| Structure | |
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| Chemical Formula | C10H13N3O |
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| Molecular Mass | 191.1059 |
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| SMILES | O=C(Nc1cccnc1)C1CCCN1 |
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| InChI Key | HOQVOMSGUVLPIL-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 | proline and derivatives |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | alpha amino acid amidesalpha amino acidsazacyclic compoundscarbonyl compoundscarboxylic acids and derivativesdialkylaminesheteroaromatic compoundshydrocarbon derivativesn-arylamidesorganic oxidesorganopnictogen compoundspyridines and derivativespyrrolidinecarboxamidessecondary carboxylic acid amides |
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| Substituents | carbonyl grouparomatic heteromonocyclic compoundn-arylamideorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundpyrrolidineorganoheterocyclic compoundproline or derivativessecondary aliphatic aminealpha-amino acid amideazacycleheteroaromatic compoundsecondary aminecarboxamide groupsecondary carboxylic acid amidepyrrolidine carboxylic acid or derivativespyridineorganic oxygen compoundhydrocarbon derivativeorganic nitrogen compoundpyrrolidine-2-carboxamideorganooxygen compoundamine |
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