| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:10:19 UTC |
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| Update Date | 2025-03-25 00:57:30 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02225125 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H17N3O4 |
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| Molecular Mass | 291.1219 |
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| SMILES | Nc1ccccc1C(=O)CC(N)C(=O)N1CCC1C(=O)O |
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| InChI Key | BIXYISONPPRCBE-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 | alkyl-phenylketonesalpha amino acid amidesalpha amino acidsamino acidsaryl alkyl ketonesazacyclic compoundsazetidinecarboxylic acidsazetidinesbenzoyl derivativesbutyrophenonescarboxylic acidshydrocarbon derivativesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundstertiary carboxylic acid amidesvinylogous amides |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acidaryl alkyl ketonearomatic heteromonocyclic compoundamino acid or derivativesamino acidbenzoylazetidinecarboxylic acidalpha-amino acid or derivativesketoneorganic oxidetertiary carboxylic acid amideorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundvinylogous amidealpha-amino acid amideazacyclecarboxamide groupphenylketoneazetidinebutyrophenonealpha-dipeptidemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativebenzenoidprimary aliphatic amineprimary amineorganic nitrogen compoundaminealkyl-phenylketoneorganooxygen compoundaryl ketone |
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