| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:09:55 UTC |
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| Update Date | 2025-03-25 00:57:22 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02224280 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H18N6O8 |
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| Molecular Mass | 398.1186 |
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| SMILES | Nc1nnc2c(ncn2C2OC(CO)C(O)C2O)c1NC(CC(=O)O)C(=O)O |
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| InChI Key | XVONPFBKRVPCFM-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 | alpha amino acidsamino acidsazacyclic compoundscarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativesimidazolesimidolactamsmonosaccharidesn-substituted imidazolesorganic oxidesorganopnictogen compoundsoxacyclic compoundsprimary alcoholsprimary aminespyridazines and derivativessecondary alcoholssecondary alkylarylaminestetrahydrofurans |
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| Substituents | carbonyl groupcarboxylic acidamino acidmonosaccharidesaccharideorganic oxidearomatic heteropolycyclic compoundimidazoleorganonitrogen compoundalpha-amino acidorganopnictogen compoundprimary alcoholimidolactamorganoheterocyclic compoundazolen-substituted imidazolealcoholazacycletetrahydrofuranheteroaromatic compoundsecondary aminesecondary aliphatic/aromatic amineoxacycleorganic oxygen compoundpyridazineaspartic acid or derivativessecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativeprimary amineorganic nitrogen compoundamineorganooxygen compound |
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