| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:43:13 UTC |
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| Update Date | 2025-03-25 00:47:37 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02162918 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C15H18N2O5 |
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| Molecular Mass | 306.1216 |
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| SMILES | O=C(CC(NC(=O)C1CCCN1)C(=O)O)c1ccccc1O |
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| InChI Key | ZWELIWUKQSVPIT-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 benzenoids1-hydroxy-4-unsubstituted benzenoidsalkyl-phenylketonesalpha amino acid amidesalpha amino acidsamino acidsaryl alkyl ketonesazacyclic compoundsbenzoyl derivativesbutyrophenonescarboxylic acidsdialkylaminesgamma-keto acids and derivativeshydrocarbon derivativesmonocarboxylic acids and derivativesn-acyl-alpha amino acidsorganic oxidesorganopnictogen compoundsproline and derivativespyrrolidinecarboxamidessecondary carboxylic acid amidesvinylogous acids |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acidaryl alkyl ketonearomatic heteromonocyclic compoundamino acid or derivativesamino acidbenzoyl1-hydroxy-2-unsubstituted benzenoidalpha-amino acid or derivativesketoneorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundpyrrolidineorganoheterocyclic compoundn-acyl-alpha amino acid or derivativesproline or derivativessecondary aliphatic aminealpha-amino acid amideazacyclen-acyl-alpha-amino acid1-hydroxy-4-unsubstituted benzenoidsecondary aminecarboxamide groupphenylketonegamma-keto acidbutyrophenonealpha-dipeptidesecondary carboxylic acid amidevinylogous acidmonocarboxylic acid or derivativespyrrolidine carboxylic acid or derivativesorganic oxygen compoundketo acidphenolhydrocarbon derivativebenzenoidorganic nitrogen compoundpyrrolidine-2-carboxamidealkyl-phenylketoneorganooxygen compoundaminearyl ketone |
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