| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:54:39 UTC |
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| Update Date | 2025-03-21 18:04:18 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00049707 |
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| Frequency | 66.3 |
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| Structure | |
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| Chemical Formula | C13H18N4O8 |
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| Molecular Mass | 358.1125 |
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| SMILES | NC(CC(=O)Nc1ccn(C2OC(CO)C(O)C2O)c(=O)n1)C(=O)O |
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| InChI Key | PVPJTBAEAQVTPN-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 acidsasparagine and derivativesazacyclic compoundscarbonyl compoundscarboxylic acidsfatty amidesheteroaromatic compoundshydrocarbon derivativesimidolactamsmonoalkylaminesmonocarboxylic acids and derivativesmonosaccharidesn-arylamidesorganic carbonic acids and derivativesorganic oxidesorganopnictogen compoundsoxacyclic compoundsprimary alcoholspyrimidonessecondary alcoholssecondary carboxylic acid amidestetrahydrofurans |
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| Substituents | fatty acylcarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundfatty amidemonosaccharidepyrimidonen-arylamidealpha-amino acid or derivativescarboxylic acid derivativepyrimidinesaccharideorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundpyrimidine nucleosideasparagine or derivativesprimary alcoholimidolactamorganoheterocyclic compoundalcoholcarbonic acid derivativeazacycletetrahydrofuranheteroaromatic compoundcarboxamide groupoxacyclesecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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