| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:09:08 UTC |
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| Update Date | 2025-03-25 00:57:04 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02222492 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H11N3O2 |
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| Molecular Mass | 229.0851 |
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| SMILES | O=C1CNC(c2c[nH]c3ccccc23)C(=O)N1 |
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| InChI Key | YXDSTKGSGIDVCL-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 | azacyclic compoundsbenzenoidscarbonyl compoundscarboxylic acids and derivativesdialkylaminesdicarboximidesdioxopiperazinesheteroaromatic compoundshydrocarbon derivativesindolesn-unsubstituted carboxylic acid imidesorganic oxidesorganopnictogen compoundspyrroles |
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| Substituents | carbonyl groupindolecarboxylic acid imide, n-unsubstitutedorganic oxidedioxopiperazinepiperazinearomatic heteropolycyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compounddicarboximideorganoheterocyclic compoundsecondary aliphatic amineazacycleheteroaromatic compoundindole or derivativessecondary aminecarboxylic acid imideorganic oxygen compound1,4-diazinanepyrrolehydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compoundamine |
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