| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:53:23 UTC |
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| Update Date | 2025-03-25 00:51:19 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02186199 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H17N3O9 |
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| Molecular Mass | 371.0965 |
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| SMILES | O=C(CCC(=O)C(=O)O)Nc1ccn(C2OC(CO)C(O)C2O)c(=O)n1 |
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| InChI Key | XMCLUSQSQXVXBK-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-hydroxy ketonesalpha-keto acids and derivativesazacyclic compoundscarboxylic acidsfatty amidesheteroaromatic compoundshydrocarbon derivativesimidolactamsmonocarboxylic 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-hydroxy ketonecarboxylic acid derivativepyrimidineketonesaccharideorganic oxideorganonitrogen compoundalpha-keto acidorganopnictogen compoundpyrimidine nucleosideprimary alcoholimidolactamorganoheterocyclic compoundalcoholcarbonic acid derivativeazacycletetrahydrofuranheteroaromatic compoundcarboxamide groupoxacyclesecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundketo acidsecondary alcoholhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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