| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:45:36 UTC |
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| Update Date | 2025-03-25 00:48:28 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02168406 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C15H20N2O3 |
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| Molecular Mass | 276.1474 |
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| SMILES | CC(C)C(N)C(=O)N1c2ccccc2CCC1C(=O)O |
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| InChI Key | QQRXYGDYLCSIHM-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 acidshydrocarbon derivativeshydroquinolinesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsquinoline carboxylic acidstertiary carboxylic acid amidesvaline and derivatives |
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| Substituents | carbonyl groupcarboxylic acidalpha-amino acid or derivativesorganic oxidearomatic heteropolycyclic compoundtertiary carboxylic acid amidequinolineorganonitrogen compoundalpha-amino acidorganopnictogen compoundtetrahydroquinolineorganoheterocyclic compoundalpha-amino acid amideazacyclevaline or derivativescarboxamide groupalpha-dipeptidemonocarboxylic acid or derivativesorganic oxygen compoundquinoline-2-carboxylic acidhydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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