| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:22:27 UTC |
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| Update Date | 2025-03-21 18:37:34 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00116286 |
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| Frequency | 22.6 |
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| Structure | |
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| Chemical Formula | C16H16N2O5 |
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| Molecular Mass | 316.1059 |
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| SMILES | C=CC1=C(C)C(=CC=C2C=C(C(=O)O)NC(C(=O)O)C2)NC1=O |
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| InChI Key | MRRZXYXKOMTALS-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 | alpha amino acids |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | amino acidsazacyclic compoundscarbonyl compoundscarboxylic acidsdialkylaminesdicarboxylic acids and derivativeshydrocarbon derivativeslactamsorganic oxidesorganopnictogen compoundspyrrolinessecondary carboxylic acid amidestetrahydropyridines |
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| Substituents | carbonyl grouplactamcarboxylic acidamino acidorganic oxidealiphatic heteromonocyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundsecondary aliphatic amineazacycletetrahydropyridinesecondary aminecarboxamide groupsecondary carboxylic acid amideorganic oxygen compoundpyrrolinedicarboxylic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundamine |
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