| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:39:21 UTC |
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| Update Date | 2025-03-21 17:58:22 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00013967 |
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| Frequency | 317.5 |
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| Structure | |
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| Chemical Formula | C9H11N3O3 |
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| Molecular Mass | 209.08 |
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| SMILES | CC(=O)NC(Cc1cncnc1)C(=O)O |
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| InChI Key | VQVFMCKIGSWINU-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 | n-acyl-alpha amino acids |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | acetamidesalpha amino acidsazacyclic compoundscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrimidines and pyrimidine derivativessecondary carboxylic acid amides |
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| Substituents | carbonyl groupcarboxylic acidaromatic heteromonocyclic compoundazacyclen-acyl-alpha-amino acidheteroaromatic compoundcarboxamide grouppyrimidinesecondary carboxylic acid amideorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganoheterocyclic compoundacetamideorganooxygen compound |
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