| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:48:51 UTC |
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| Update Date | 2025-03-25 00:49:40 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02175863 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H18N2O6 |
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| Molecular Mass | 334.1165 |
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| SMILES | Cc1ccc(OCC2OC(n3ccc(=O)[nH]c3=O)C(O)C2O)cc1 |
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| InChI Key | YXSMQOIKMUUTHJ-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 | 1,2-diolsalkyl aryl ethersazacyclic compoundsheteroaromatic compoundshydrocarbon derivativeslactamsmonosaccharidesorganic carbonic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsphenol ethersphenoxy compoundspyrimidonessecondary alcoholstetrahydrofuranstoluenesvinylogous amides |
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| Substituents | phenol ethermonocyclic benzene moietyetherlactamaromatic heteromonocyclic compoundmonosaccharidepyrimidonealkyl aryl etherpyrimidinesaccharideorganic oxideorganonitrogen compoundorganopnictogen compoundpyrimidine nucleosideorganoheterocyclic compound1,2-diolalcoholvinylogous amidecarbonic acid derivativeazacycletetrahydrofuranheteroaromatic compoundoxacycleorganic oxygen compoundsecondary alcoholhydrocarbon derivativebenzenoidorganic nitrogen compoundphenoxy compoundtolueneorganooxygen compound |
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