| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:42:18 UTC |
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| Update Date | 2025-03-25 00:47:18 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02160833 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H18N4O6 |
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| Molecular Mass | 314.1226 |
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| SMILES | Nc1ncc(C2OC(CO)C(O)C2O)nc1CC(N)C(=O)O |
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| InChI Key | LQPKEMWXTPMNFZ-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 | amino acidsazacyclic compoundscarbonyl compoundscarboxylic acidsdialkyl ethersheteroaromatic compoundshydrocarbon derivativesimidolactamsmonoalkylaminesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesorganopnictogen compoundsoxacyclic compoundsprimary alcoholspyrazinessecondary alcoholstetrahydrofurans |
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| Substituents | carbonyl groupethercarboxylic acidaromatic heteromonocyclic compoundamino acidmonosaccharidedialkyl ethersaccharideorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundprimary alcoholimidolactamorganoheterocyclic compoundalcoholazacycletetrahydrofuranheteroaromatic compoundoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundpyrazinesecondary alcoholhydrocarbon derivativeprimary aliphatic amineprimary amineorganic nitrogen compoundamineorganooxygen compound |
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