| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:53:04 UTC |
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| Update Date | 2025-03-25 00:51:12 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02185447 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H18N6O6 |
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| Molecular Mass | 354.1288 |
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| SMILES | Nc1ncnc2c(CC(N)C(=O)O)nn(C3OC(CO)C(O)C3O)c12 |
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| InChI Key | JATCDRZFARHDTP-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 heteropolycyclic compounds |
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| Alternative Parents | amino acidsazacyclic compoundscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesimidolactamsmonoalkylaminesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesorganopnictogen compoundsoxacyclic compoundsprimary alcoholspyrazolespyrazolopyrimidinespyrimidines and pyrimidine derivativessecondary alcoholstetrahydrofurans |
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| Substituents | carbonyl groupcarboxylic acidamino acidmonosaccharidepyrazolepyrimidinesaccharideorganic oxidepyrazolopyrimidinearomatic heteropolycyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundprimary alcoholimidolactamorganoheterocyclic compoundazolealcoholazacycletetrahydrofuranheteroaromatic compoundoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholhydrocarbon derivativeprimary aliphatic amineprimary amineorganic nitrogen compoundamineorganooxygen compound |
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