| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:51:29 UTC |
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| Update Date | 2025-03-25 00:50:35 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02181896 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H21N3O3 |
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| Molecular Mass | 303.1583 |
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| SMILES | O=C(NCC(=O)N1Cc2ccccc2C(O)C1)C1CCCN1 |
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| InChI Key | MBJSBQPJJBLDBM-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 heteropolycyclic compounds |
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| Alternative Parents | alpha amino acid amidesalpha amino acidsazacyclic compoundsbenzenoidscarbonyl compoundscarboxylic acids and derivativesdialkylamineshydrocarbon derivativesn-acyl-alpha amino acidsorganic oxidesorganopnictogen compoundsproline and derivativespyrrolidinecarboxamidessecondary alcoholssecondary carboxylic acid amidestertiary carboxylic acid amidestetrahydroisoquinolines |
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| Substituents | carbonyl groupamino acid or derivativesalpha-amino acid or derivativesorganic oxidearomatic heteropolycyclic compoundtertiary carboxylic acid amideorganonitrogen compoundtetrahydroisoquinolinealpha-amino acidorganopnictogen compoundpyrrolidineorganoheterocyclic compoundn-acyl-alpha amino acid or derivativesproline or derivativesalcoholsecondary aliphatic aminealpha-amino acid amideazacyclen-acyl-alpha-amino acidsecondary aminecarboxamide groupalpha-dipeptidesecondary carboxylic acid amidepyrrolidine carboxylic acid or derivativesorganic oxygen compoundsecondary alcoholhydrocarbon derivativebenzenoidorganic nitrogen compoundpyrrolidine-2-carboxamideorganooxygen compoundamine |
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