| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:08:10 UTC |
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| Update Date | 2025-03-21 18:30:18 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00081808 |
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| Frequency | 35.4 |
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| Structure | |
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| Chemical Formula | C9H11N3O5 |
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| Molecular Mass | 241.0699 |
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| SMILES | Nc1ccn(C2OC3COOC3C2O)c(=O)n1 |
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| InChI Key | BQDDLVRWQDXRIB-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organoheterocyclic compounds |
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| Class | diazines |
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| Subclass | pyrimidines and pyrimidine derivatives |
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| Direct Parent | pyrimidones |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1,2-dioxolanesazacyclic compoundsdialkyl peroxidesheteroaromatic compoundshydrocarbon derivativesimidolactamsmonosaccharidesorganic carbonic acids and derivativesorganic oxidesorganopnictogen compoundsoxacyclic compoundsprimary aminessecondary alcoholstetrahydrofurans |
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| Substituents | monosaccharidepyrimidonesaccharideorganic oxidearomatic heteropolycyclic compounddialkyl peroxideorganonitrogen compoundorganopnictogen compoundimidolactamortho-dioxolanealcoholcarbonic acid derivativeazacycletetrahydrofuranheteroaromatic compoundoxacycleorganic oxygen compoundsecondary alcoholhydrocarbon derivativeprimary amineorganic nitrogen compoundamineorganooxygen compound |
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