| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:37:00 UTC |
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| Update Date | 2025-03-25 00:45:23 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02148774 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H20N2O3 |
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| Molecular Mass | 252.1474 |
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| SMILES | CC(C)CC(NC(=O)Cc1cccn1C)C(=O)O |
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| InChI Key | RKMDYXUEAAMURW-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 | leucine and derivatives |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | alpha amino acidsazacyclic compoundscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesmonocarboxylic acids and derivativesn-acyl-alpha amino acidsn-methylpyrrolesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amidessubstituted pyrroles |
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| Substituents | carbonyl groupn-methylpyrrolecarboxylic acidaromatic heteromonocyclic compoundsubstituted pyrroleorganic oxideleucine or derivativesorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundn-acyl-alpha amino acid or derivativesazacyclen-acyl-alpha-amino acidheteroaromatic compoundcarboxamide groupsecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundpyrrolehydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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