| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:06:18 UTC |
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| Update Date | 2025-03-21 18:29:25 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00077275 |
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| Frequency | 38.0 |
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| Structure | |
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| Chemical Formula | C15H19N3O |
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| Molecular Mass | 257.1528 |
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| SMILES | O=C(NCCc1c[nH]c2ccccc12)C1CCCN1 |
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| InChI Key | FQADIEGWVXTSMJ-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 heteropolycyclic compounds |
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| Alternative Parents | alpha amino acid amidesalpha amino acidsazacyclic compoundsbenzenoidscarbonyl compoundscarboxylic acids and derivativesdialkylaminesheteroaromatic compoundshydrocarbon derivativesindolesorganic oxidesorganopnictogen compoundspyrrolespyrrolidinecarboxamidessecondary carboxylic acid amides |
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| Substituents | carbonyl groupindoleorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundpyrrolidineorganoheterocyclic compoundproline or derivativessecondary aliphatic aminealpha-amino acid amideazacycleheteroaromatic compoundindole or derivativessecondary aminecarboxamide groupsecondary carboxylic acid amidepyrrolidine carboxylic acid or derivativesorganic oxygen compoundpyrrolehydrocarbon derivativebenzenoidorganic nitrogen compoundpyrrolidine-2-carboxamideorganooxygen compoundamine |
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