| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:05:45 UTC |
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| Update Date | 2025-03-21 18:29:08 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00075913 |
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| Frequency | 53.8 |
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| Structure | |
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| Chemical Formula | C8H11N3O4 |
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| Molecular Mass | 213.075 |
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| SMILES | COC(=O)NC(Cc1c[nH]cn1)C(=O)O |
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| InChI Key | VUZJKGCTMGVVKX-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 heteromonocyclic compounds |
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| Alternative Parents | azacyclic compoundscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesimidazolesmethylcarbamatesmonocarboxylic acids and derivativesorganic carbonic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compounds |
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| Substituents | carbonyl groupcarbonic acid derivativecarboxylic acidaromatic heteromonocyclic compoundazacyclemethylcarbamateheteroaromatic compoundcarbamic acid esterorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundimidazoleorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganoheterocyclic compoundorganooxygen compoundazole |
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