| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:47:56 UTC |
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| Update Date | 2025-03-21 18:01:35 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00033564 |
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| Frequency | 114.2 |
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| Structure | |
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| Chemical Formula | C13H17N3O9 |
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| Molecular Mass | 359.0965 |
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| SMILES | O=C(O)CC(Nc1ccn(C2OC(CO)C(O)C2O)c(=O)n1)C(=O)O |
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| InChI Key | RLGPDBJVBOMTHA-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | nucleosides, nucleotides, and analogues |
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| Class | pyrimidine nucleosides |
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| Subclass | pyrimidine nucleosides |
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| Direct Parent | pyrimidine nucleosides |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | alpha amino acidsamino acidsaspartic acid and derivativesazacyclic compoundscarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativesimidolactamsmonosaccharidesorganic carbonic acids and derivativesorganic oxidesorganopnictogen compoundsoxacyclic compoundsprimary alcoholspyrimidonessecondary alcoholssecondary alkylarylaminestetrahydrofurans |
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| Substituents | carbonyl groupcarboxylic acidaromatic heteromonocyclic compoundamino acid or derivativesamino acidmonosaccharidepyrimidonealpha-amino acid or derivativescarboxylic acid derivativepyrimidinesaccharideorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundpyrimidine nucleosideprimary alcoholimidolactamorganoheterocyclic compoundalcoholcarbonic acid derivativeazacycletetrahydrofuranheteroaromatic compoundsecondary aminesecondary aliphatic/aromatic amineoxacycleorganic oxygen compoundaspartic acid or derivativessecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundamine |
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