| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:02:03 UTC |
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| Update Date | 2025-03-25 00:54:22 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02205920 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H15N3O9 |
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| Molecular Mass | 345.0808 |
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| SMILES | NC(C(=O)O)C(=O)OC1C(O)C(CO)OC1n1ccc(=O)[nH]c1=O |
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| InChI Key | XMATVNYEFLETKF-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 | 1,3-dicarbonyl compoundsalpha amino acid estersalpha amino acidsazacyclic compoundscarboxylic acid esterscarboxylic acidsdicarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativeslactamsmonoalkylaminesmonosaccharidesorganic carbonic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsprimary alcoholspyrimidonessecondary alcoholstetrahydrofuransvinylogous amides |
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| Substituents | carbonyl grouplactamcarboxylic acidaromatic heteromonocyclic compoundmonosaccharidepyrimidonealpha-amino acid or derivativescarboxylic acid derivativepyrimidinesaccharideorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundpyrimidine nucleosideprimary alcoholorganoheterocyclic compoundalcoholvinylogous amidecarbonic acid derivativealpha-amino acid esterazacycletetrahydrofuranheteroaromatic compoundoxacycleorganic oxygen compoundcarboxylic acid estersecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativeprimary aliphatic amineorganic nitrogen compound1,3-dicarbonyl compoundorganooxygen compound |
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