| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:06:10 UTC |
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| Update Date | 2025-03-21 18:29:21 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00076944 |
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| Frequency | 38.2 |
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| Structure | |
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| Chemical Formula | C13H13N3O2 |
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| Molecular Mass | 243.1008 |
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| SMILES | O=C1CNC(=O)C(Cc2c[nH]c3ccccc23)N1 |
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| InChI Key | IFQZEERDQXQTLJ-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 | aromatic heteropolycyclic compounds |
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| Alternative Parents | 2,5-dioxopiperazinesazacyclic compoundsbenzenoidscarbonyl compoundscarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativesindoleslactamsorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrrolessecondary carboxylic acid amides |
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| Substituents | carbonyl grouplactamindole2,5-dioxopiperazineorganic oxidedioxopiperazinepiperazinearomatic heteropolycyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundazacycleheteroaromatic compoundindole or derivativescarboxamide groupsecondary carboxylic acid amideorganic oxygen compound1,4-diazinanepyrrolehydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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