| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:15:54 UTC |
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| Update Date | 2025-03-21 18:34:19 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00100239 |
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| Frequency | 27.3 |
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| Structure | |
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| Chemical Formula | C8H10N2O4 |
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| Molecular Mass | 198.0641 |
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| SMILES | O=C(O)CCC(C(=O)O)n1ccnc1 |
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| InChI Key | OTVVACAJYXIUEC-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 and derivatives |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | azacyclic compoundscarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativesimidazolesn-substituted imidazolesorganic oxidesorganonitrogen compoundsorganopnictogen compounds |
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| Substituents | carbonyl groupcarboxylic acidaromatic heteromonocyclic compoundazacycleheteroaromatic compoundalpha-amino acid or derivativesorganic oxideorganic oxygen compoundimidazoleorganonitrogen compounddicarboxylic acid or derivativesorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganoheterocyclic compoundorganooxygen compoundazolen-substituted imidazole |
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