| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:14:42 UTC |
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| Update Date | 2025-03-21 18:33:44 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00097322 |
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| Frequency | 28.3 |
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| Structure | |
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| Chemical Formula | C14H19N3O4 |
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| Molecular Mass | 293.1376 |
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| SMILES | NC(=O)C1CC(O)CN1C(=O)C(N)Cc1ccc(O)cc1 |
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| InChI Key | MHUOYKROFQSLEW-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 | dipeptides |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsalpha amino acid amidesalpha amino acidsamphetamines and derivativesazacyclic compoundsbenzene and substituted derivativescarbonyl compoundscarboxylic acids and derivativeshydrocarbon derivativesmonoalkylaminesn-acylpyrrolidinesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsprimary carboxylic acid amidesproline and derivativespyrrolidinecarboxamidessecondary alcoholstertiary carboxylic acid amides |
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| Substituents | primary carboxylic acid amidemonocyclic benzene moietycarbonyl grouparomatic heteromonocyclic compoundn-acylpyrrolidine1-hydroxy-2-unsubstituted benzenoidalpha-amino acid or derivativesorganic oxidetertiary carboxylic acid amideorganonitrogen compoundalpha-amino acidorganopnictogen compoundpyrrolidineorganoheterocyclic compoundamphetamine or derivativesproline or derivativesalcoholalpha-amino acid amideazacyclecarboxamide groupalpha-dipeptidepyrrolidine carboxylic acid or derivativesorganic oxygen compoundsecondary alcoholphenolhydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundpyrrolidine-2-carboxamideorganooxygen compound |
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