| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:37:17 UTC |
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| Update Date | 2025-03-25 00:45:29 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02149450 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H17N3O6 |
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| Molecular Mass | 299.1117 |
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| SMILES | Cn1cncc1CC(NC(=O)C(O)CCC(=O)O)C(=O)O |
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| InChI Key | FHMLHQJINXIERI-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 | alpha amino acidsazacyclic compoundscarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativesimidazolesmonosaccharidesn-acyl aminesn-substituted imidazolesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary alcoholssecondary carboxylic acid amides |
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| Substituents | fatty acylcarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundfatty amidemonosaccharidesaccharideorganic oxideimidazoleorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundazolen-substituted imidazolealcoholazacyclen-acyl-alpha-amino acidheteroaromatic compoundcarboxamide groupn-acyl-aminesecondary carboxylic acid amideorganic oxygen compoundsecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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