| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:21:33 UTC |
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| Update Date | 2025-03-25 01:01:38 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02250674 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H16N2O9 |
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| Molecular Mass | 344.0856 |
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| SMILES | O=C(O)CCC(=O)OC1C(O)C(CO)OC1n1ccc(=O)[nH]c1=O |
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| InChI Key | KRZKCIUQQOYVDX-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 | azacyclic compoundscarbonyl compoundscarboxylic acid esterscarboxylic acidsdicarboxylic acids and derivativesfatty acid estersheteroaromatic compoundshydrocarbon derivativeslactamsmonosaccharidesorganic carbonic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsprimary alcoholspyrimidonessecondary alcoholstetrahydrofuransvinylogous amides |
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| Substituents | fatty acylcarbonyl grouplactamcarboxylic acidaromatic heteromonocyclic compoundmonosaccharidepyrimidonecarboxylic acid derivativepyrimidinesaccharideorganic oxideorganonitrogen compoundorganopnictogen compoundpyrimidine nucleosideprimary alcoholorganoheterocyclic compoundalcoholvinylogous amidecarbonic acid derivativeazacycletetrahydrofuranheteroaromatic compoundoxacyclefatty acid esterorganic oxygen compoundcarboxylic acid estersecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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