| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:43:05 UTC |
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| Update Date | 2025-03-25 00:47:34 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02162613 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H16N6O8 |
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| Molecular Mass | 384.103 |
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| SMILES | O=C(O)CC(Nc1nnn(C2OC(CO)C(O)C2O)c2ncnc1-2)C(=O)O |
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| InChI Key | QSTZLFXSKCISTR-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 | aspartic acid and derivatives |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1,2,3-triazinesalpha amino acidsamino acidsaminotriazinesazacyclic compoundscarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativesimidazolesimidolactamsmonosaccharidesorganic oxidesorganopnictogen compoundsoxacyclic compoundsprimary alcoholssecondary alcoholssecondary alkylarylaminestetrahydrofurans |
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| Substituents | carbonyl groupcarboxylic acid1,2,3-triazineamino acidmonosaccharidesaccharideorganic oxidearomatic heteropolycyclic compoundimidazoleorganonitrogen compoundalpha-amino acidorganopnictogen compoundprimary alcoholimidolactamorganoheterocyclic compoundazolealcoholazacycletetrahydrofuranheteroaromatic compoundamino-1,2,3-triazinesecondary aminesecondary aliphatic/aromatic amineoxacycleorganic oxygen compoundaspartic acid or derivativessecondary alcoholdicarboxylic acid or derivativestriazinehydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundamine |
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